4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol

C24H34N6O2 — CID 123295770

IUPAC4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol
SMILESCCCCNc1ncc(-c2ccc(CN3CCOCC3)cn2)c(N=C2CCC(O)CC2)n1
InChIInChI=1S/C24H34N6O2/c1-2-3-10-25-24-27-16-21(23(29-24)28-19-5-7-20(31)8-6-19)22-9-4-18(15-26-22)17-30-11-13-32-14-12-30/h4,9,15-16,20,31H,2-3,5-8,10-14,17H2,1H3,(H,25,27,29)/b28-19-
InChIKeyWGCQUKDGFLVQOA-USHMODERSA-N
MW438.58 g/mol
LogP3.59
Rot. Bonds8

About 4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol

4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol (PubChem CID 123295770) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol
PubChem CID123295770
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol
SMILESCCCCNc1ncc(-c2ccc(CN3CCOCC3)cn2)c(N=C2CCC(O)CC2)n1
InChIInChI=1S/C24H34N6O2/c1-2-3-10-25-24-27-16-21(23(29-24)28-19-5-7-20(31)8-6-19)22-9-4-18(15-26-22)17-30-11-13-32-14-12-30/h4,9,15-16,20,31H,2-3,5-8,10-14,17H2,1H3,(H,25,27,29)/b28-19-
InChIKeyWGCQUKDGFLVQOA-USHMODERSA-N
XLogP3.59
TPSA95.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[2-(butylamino)-5-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]iminocyclohexan-1-ol
CID 123790584
4-[[2-(butylamino)-5-[5-[[(3S)-3-propan-2-ylpyrrolidin-1-yl]methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439921
4-[[5-[5-(aminomethyl)-2-pyridinyl]-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 129131936
4-[[[5-[5-[(benzylamino)methyl]-2-pyridinyl]-2-(butylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 123148798
4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439784
tert-butyl 4-[[6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperidine-1-carboxylate
CID 118439946
3-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]propan-1-ol
CID 144944295
4-[[2-[(4-methylphenyl)methylamino]-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 166023898
4-[6-(butylamino)-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
CID 166023851
4-[[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]-2-(2-fluorobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 170437866
4-[2-(butylamino)-5-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
CID 144944146
N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50950437

Frequently Asked Questions

What is the IUPAC name of 4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol?
The IUPAC name of 4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol (CID 123295770) is 4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol.
What is the SMILES notation for 4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol?
The canonical SMILES for 4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol is CCCCNc1ncc(-c2ccc(CN3CCOCC3)cn2)c(N=C2CCC(O)CC2)n1.
What is the InChIKey of 4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol?
The InChIKey is WGCQUKDGFLVQOA-USHMODERSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-2-3-10-25-24-27-16-21(23(29-24)28-19-5-7-20(31)8-6-19)22-9-4-18(15-26-22)17-30-11-13-32-14-12-30/h4,9,15-16,20,31H,2-3,5-8,10-14,17H2,1H3,(H,25,27,29)/b28-19-.
What are the key properties of 4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol?
4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol has a molecular weight of 438.58 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]iminocyclohexan-1-ol is sourced from PubChem (CID 123295770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).