2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine

C19H27ClN6 — CID 143652685

IUPAC2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine
SMILESCCNN(c1nc(Nc2ccc(Cl)c(C)c2)ncc1NC)C1CCCC1
InChIInChI=1S/C19H27ClN6/c1-4-23-26(15-7-5-6-8-15)18-17(21-3)12-22-19(25-18)24-14-9-10-16(20)13(2)11-14/h9-12,15,21,23H,4-8H2,1-3H3,(H,22,24,25)
InChIKeyFYPOVIMPFDHDQI-UHFFFAOYSA-N
MW374.92 g/mol
LogP4.50
Rot. Bonds7

About 2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine

2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine (PubChem CID 143652685) has the molecular formula C19H27ClN6 and a molecular weight of 374.92 g/mol. Its IUPAC name is 2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine
PubChem CID143652685
Molecular FormulaC19H27ClN6
Molecular Weight374.92 g/mol
Exact Mass374.20
IUPAC Name2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine
SMILESCCNN(c1nc(Nc2ccc(Cl)c(C)c2)ncc1NC)C1CCCC1
InChIInChI=1S/C19H27ClN6/c1-4-23-26(15-7-5-6-8-15)18-17(21-3)12-22-19(25-18)24-14-9-10-16(20)13(2)11-14/h9-12,15,21,23H,4-8H2,1-3H3,(H,22,24,25)
InChIKeyFYPOVIMPFDHDQI-UHFFFAOYSA-N
XLogP4.50
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine
CID 168509796
N-[2-(3,4-dichloroanilino)-5-(trifluoromethyl)pyrimidin-4-yl]-N-propylhydroxylamine
CID 21080390
2-(4-chloro-3-methylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 68620191
2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67210800
8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043958
1-[2-[[2-(3,4-dichloroanilino)-5-(trifluoromethyl)pyrimidin-4-yl]-methylamino]ethyl]pyrrolidin-2-one
CID 21080317
2-[[2-(3,4-dichloroanilino)-5-(trifluoromethyl)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 21080586
N-(4-chloro-3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 11255564
2-[[2-(3,4-dichloroanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 21080467
N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 70946567
4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine
CID 71038618
2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine
CID 21077439

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine?
The IUPAC name of 2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine (CID 143652685) is 2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine is CCNN(c1nc(Nc2ccc(Cl)c(C)c2)ncc1NC)C1CCCC1.
What is the InChIKey of 2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine?
The InChIKey is FYPOVIMPFDHDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN6/c1-4-23-26(15-7-5-6-8-15)18-17(21-3)12-22-19(25-18)24-14-9-10-16(20)13(2)11-14/h9-12,15,21,23H,4-8H2,1-3H3,(H,22,24,25).
What are the key properties of 2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine?
2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine has a molecular weight of 374.92 g/mol, XLogP of 4.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine is sourced from PubChem (CID 143652685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).