4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol

C23H33ClN6O2 — CID 165385630

IUPAC4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESCCN1CCN(Cc2ccc(Nc3ncc(Cl)c(OCC4CCC(O)CC4)n3)nc2)CC1
InChIInChI=1S/C23H33ClN6O2/c1-2-29-9-11-30(12-10-29)15-18-5-8-21(25-13-18)27-23-26-14-20(24)22(28-23)32-16-17-3-6-19(31)7-4-17/h5,8,13-14,17,19,31H,2-4,6-7,9-12,15-16H2,1H3,(H,25,26,27,28)
InChIKeySFLJAKVKGZTVCW-UHFFFAOYSA-N
MW461.01 g/mol
LogP3.34
Rot. Bonds8

About 4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol

4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (PubChem CID 165385630) has the molecular formula C23H33ClN6O2 and a molecular weight of 461.01 g/mol. Its IUPAC name is 4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
PubChem CID165385630
Molecular FormulaC23H33ClN6O2
Molecular Weight461.01 g/mol
Exact Mass460.24
IUPAC Name4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESCCN1CCN(Cc2ccc(Nc3ncc(Cl)c(OCC4CCC(O)CC4)n3)nc2)CC1
InChIInChI=1S/C23H33ClN6O2/c1-2-29-9-11-30(12-10-29)15-18-5-8-21(25-13-18)27-23-26-14-20(24)22(28-23)32-16-17-3-6-19(31)7-4-17/h5,8,13-14,17,19,31H,2-4,6-7,9-12,15-16H2,1H3,(H,25,26,27,28)
InChIKeySFLJAKVKGZTVCW-UHFFFAOYSA-N
XLogP3.34
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.01
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine
CID 172866624
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-pyridin-2-ylpyrimidin-2-amine
CID 175929946
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-[(1S)-5-fluoro-1-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine
CID 122657617
5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine
CID 80877801
4-(3-cyclopropyl-2-ethyl-7-fluoroindazol-5-yl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 118687704
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-[(1R)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-amine
CID 122657609
4-(3-cyclopropyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 130310821
1-[6-(1-hydroxyethyl)-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
CID 139529206
N-ethyl-5-[[4-(methoxymethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 63972576
7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 166981731
1-[[6-[[6-(1-hydroxyethyl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperidin-4-ol
CID 139529523
4-[1-(difluoromethyl)-5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 122666596

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The IUPAC name of 4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (CID 165385630) is 4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is CCN1CCN(Cc2ccc(Nc3ncc(Cl)c(OCC4CCC(O)CC4)n3)nc2)CC1.
What is the InChIKey of 4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The InChIKey is SFLJAKVKGZTVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN6O2/c1-2-29-9-11-30(12-10-29)15-18-5-8-21(25-13-18)27-23-26-14-20(24)22(28-23)32-16-17-3-6-19(31)7-4-17/h5,8,13-14,17,19,31H,2-4,6-7,9-12,15-16H2,1H3,(H,25,26,27,28).
What are the key properties of 4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol has a molecular weight of 461.01 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 165385630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).