2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine

C14H18ClN5 — CID 23652519

IUPAC2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)CCNc1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C14H18ClN5/c1-20(2)9-8-16-13-6-7-17-14(19-13)18-12-5-3-4-11(15)10-12/h3-7,10H,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyFPYGQTCTNVYIDK-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.85
Rot. Bonds6

About 2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine

2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (PubChem CID 23652519) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
PubChem CID23652519
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)CCNc1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C14H18ClN5/c1-20(2)9-8-16-13-6-7-17-14(19-13)18-12-5-3-4-11(15)10-12/h3-7,10H,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyFPYGQTCTNVYIDK-UHFFFAOYSA-N
XLogP2.85
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881843
4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887825
4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653412
4-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 91504160
4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 23634363
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112901380
2-N-(2,5-dichlorophenyl)-4-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 91447813
2-N-(3-chlorophenyl)-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891158
2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol
CID 117086718
2-N-(3-bromo-4-methylphenyl)-4-N-(3-chlorophenyl)pyrimidine-2,4-diamine
CID 112903672
4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887250
2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol
CID 24824262

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (CID 23652519) is 2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is CN(C)CCNc1ccnc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The InChIKey is FPYGQTCTNVYIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-20(2)9-8-16-13-6-7-17-14(19-13)18-12-5-3-4-11(15)10-12/h3-7,10H,8-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine has a molecular weight of 291.79 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23652519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).