5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine

C14H24ClN5 — CID 80831006

IUPAC5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C14H24ClN5/c1-3-16-14-18-9-12(15)13(19-14)17-8-11(2)10-20-6-4-5-7-20/h9,11H,3-8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyAIKSNDWIQHCFRH-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.71
Rot. Bonds7

About 5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine

5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine (PubChem CID 80831006) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
PubChem CID80831006
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC Name5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C14H24ClN5/c1-3-16-14-18-9-12(15)13(19-14)17-8-11(2)10-20-6-4-5-7-20/h9,11H,3-8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyAIKSNDWIQHCFRH-UHFFFAOYSA-N
XLogP2.71
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 80838637
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80765829
5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine
CID 103582417
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
5-chloro-2-N-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 106327636
5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80802191
6-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrazin-2-amine
CID 62992157
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148675
5-chloro-2-N-ethyl-4-N-(3-ethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80846037
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine
CID 79918788
5-chloro-2-N-ethyl-4-N-morpholin-4-ylpyrimidine-2,4-diamine
CID 83027231
5-chloro-2-N-ethyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 80792892

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine (CID 80831006) is 5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NCC(C)CN2CCCC2)n1.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine?
The InChIKey is AIKSNDWIQHCFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5/c1-3-16-14-18-9-12(15)13(19-14)17-8-11(2)10-20-6-4-5-7-20/h9,11H,3-8,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine has a molecular weight of 297.83 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80831006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).