4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine

C14H15Cl2N5 — CID 19137305

IUPAC4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2cc(Cl)ccc2Cl)ncnc1N1CCCC1
InChIInChI=1S/C14H15Cl2N5/c15-9-3-4-10(16)11(7-9)20-13-12(17)14(19-8-18-13)21-5-1-2-6-21/h3-4,7-8H,1-2,5-6,17H2,(H,18,19,20)
InChIKeyYUYPBCWJTCBKAS-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.71
Rot. Bonds3

About 4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine

4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine (PubChem CID 19137305) has the molecular formula C14H15Cl2N5 and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
PubChem CID19137305
Molecular FormulaC14H15Cl2N5
Molecular Weight324.22 g/mol
Exact Mass323.07
IUPAC Name4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2cc(Cl)ccc2Cl)ncnc1N1CCCC1
InChIInChI=1S/C14H15Cl2N5/c15-9-3-4-10(16)11(7-9)20-13-12(17)14(19-8-18-13)21-5-1-2-6-21/h3-4,7-8H,1-2,5-6,17H2,(H,18,19,20)
InChIKeyYUYPBCWJTCBKAS-UHFFFAOYSA-N
XLogP3.71
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137671
4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138393
4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139109
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146699
4-N-(2,4-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138421
6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 19139127
6-(azepan-1-yl)-4-N-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19137931
methyl 1-[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19149857
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22541164
4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22546979
4-N-(5-chloro-2-methylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine
CID 22547247
2-[4-[(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-2-chloro-5-methylphenyl]-2-(4-chlorophenyl)acetonitrile
CID 22544477

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine (CID 19137305) is 4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine is Nc1c(Nc2cc(Cl)ccc2Cl)ncnc1N1CCCC1.
What is the InChIKey of 4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine?
The InChIKey is YUYPBCWJTCBKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5/c15-9-3-4-10(16)11(7-9)20-13-12(17)14(19-8-18-13)21-5-1-2-6-21/h3-4,7-8H,1-2,5-6,17H2,(H,18,19,20).
What are the key properties of 4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine?
4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine has a molecular weight of 324.22 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19137305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).