5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine

C14H24ClN5 — CID 114506528

IUPAC5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NC2CCN(C)CC2C)n1
InChIInChI=1S/C14H24ClN5/c1-4-6-16-14-17-8-11(15)13(19-14)18-12-5-7-20(3)9-10(12)2/h8,10,12H,4-7,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyNMKPIJIIONAHNX-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.70
Rot. Bonds5

About 5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 114506528) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID114506528
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC Name5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NC2CCN(C)CC2C)n1
InChIInChI=1S/C14H24ClN5/c1-4-6-16-14-17-8-11(15)13(19-14)18-12-5-7-20(3)9-10(12)2/h8,10,12H,4-7,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyNMKPIJIIONAHNX-UHFFFAOYSA-N
XLogP2.70
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-(1-methylpyrrolidin-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80804147
4-N-(1,3-dimethylpiperidin-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 114506457
2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80827247
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80841109
[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368316
5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80784211
5-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80848714
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80822321
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839
5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine
CID 80847547
5-bromo-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80780154

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine (CID 114506528) is 5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(NC2CCN(C)CC2C)n1.
What is the InChIKey of 5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is NMKPIJIIONAHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5/c1-4-6-16-14-17-8-11(15)13(19-14)18-12-5-7-20(3)9-10(12)2/h8,10,12H,4-7,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 297.83 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 114506528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).