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

C16H22ClN5 — CID 91441465

IUPAC2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCCN(CC)CCNc1ccnc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H22ClN5/c1-3-22(4-2)12-11-18-15-9-10-19-16(21-15)20-14-7-5-13(17)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyNOLBALUALKPBNC-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.63
Rot. Bonds8

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

2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine (PubChem CID 91441465) has the molecular formula C16H22ClN5 and a molecular weight of 319.84 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine
PubChem CID91441465
Molecular FormulaC16H22ClN5
Molecular Weight319.84 g/mol
Exact Mass319.16
IUPAC Name2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCCN(CC)CCNc1ccnc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H22ClN5/c1-3-22(4-2)12-11-18-15-9-10-19-16(21-15)20-14-7-5-13(17)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyNOLBALUALKPBNC-UHFFFAOYSA-N
XLogP3.63
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 158895162
2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 23652519
2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881906
4-N-[2-(4-chlorophenyl)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112897068
4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112887656
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine
CID 12703241
2-N-(3-chloro-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881848
2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881843
4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 23653485
4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653412
4-N-[(4-chlorophenyl)methyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112891930
2-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887000

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine (CID 91441465) is 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine is CCN(CC)CCNc1ccnc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine?
The InChIKey is NOLBALUALKPBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5/c1-3-22(4-2)12-11-18-15-9-10-19-16(21-15)20-14-7-5-13(17)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine?
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine has a molecular weight of 319.84 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91441465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).