4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine

C20H28N6O — CID 70647980

IUPAC4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine
SMILESNc1cnc(Nc2ccc(CN3CCOCC3)cc2)nc1NC1CCCC1
InChIInChI=1S/C20H28N6O/c21-18-13-22-20(25-19(18)23-16-3-1-2-4-16)24-17-7-5-15(6-8-17)14-26-9-11-27-12-10-26/h5-8,13,16H,1-4,9-12,14,21H2,(H2,22,23,24,25)
InChIKeyXABICUIHWNOXFH-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.99
Rot. Bonds6

About 4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine

4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine (PubChem CID 70647980) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine
PubChem CID70647980
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine
SMILESNc1cnc(Nc2ccc(CN3CCOCC3)cc2)nc1NC1CCCC1
InChIInChI=1S/C20H28N6O/c21-18-13-22-20(25-19(18)23-16-3-1-2-4-16)24-17-7-5-15(6-8-17)14-26-9-11-27-12-10-26/h5-8,13,16H,1-4,9-12,14,21H2,(H2,22,23,24,25)
InChIKeyXABICUIHWNOXFH-UHFFFAOYSA-N
XLogP2.99
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine
CID 70648003
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
4-(cyclobutylamino)-N-(2,6-dimethylphenyl)-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidine-5-carboxamide
CID 169088857
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(morpholin-4-ylmethyl)anilino]pyrimidine-5-carboxamide
CID 57471866
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 59686640
butyl N-[1-[4-[[5-amino-4-(cyclopentylamino)pyrimidin-2-yl]amino]phenyl]pyrrolidin-3-yl]carbamate
CID 142050215
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]-5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine
CID 25255712
5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine
CID 16665251
[2-[[5-chloro-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 175357427
N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine
CID 21192595
2-[5-[[9-cyclopentyl-6-[4-(morpholin-4-ylmethyl)anilino]purin-2-yl]amino]pentyl]guanidine
CID 150356248

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine?
The IUPAC name of 4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine (CID 70647980) is 4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine.
What is the SMILES notation for 4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine?
The canonical SMILES for 4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine is Nc1cnc(Nc2ccc(CN3CCOCC3)cc2)nc1NC1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine?
The InChIKey is XABICUIHWNOXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c21-18-13-22-20(25-19(18)23-16-3-1-2-4-16)24-17-7-5-15(6-8-17)14-26-9-11-27-12-10-26/h5-8,13,16H,1-4,9-12,14,21H2,(H2,22,23,24,25).
What are the key properties of 4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine?
4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine has a molecular weight of 368.49 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine is sourced from PubChem (CID 70647980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).