5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine

C15H27N5 — CID 80801215

IUPAC5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NC(C)CN2CCCC2)n1
InChIInChI=1S/C15H27N5/c1-4-7-16-15-17-10-12(2)14(19-15)18-13(3)11-20-8-5-6-9-20/h10,13H,4-9,11H2,1-3H3,(H2,16,17,18,19)
InChIKeyJKQYBBVKMCCIGT-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.50
Rot. Bonds7

About 5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine

5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80801215) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine
PubChem CID80801215
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NC(C)CN2CCCC2)n1
InChIInChI=1S/C15H27N5/c1-4-7-16-15-17-10-12(2)14(19-15)18-13(3)11-20-8-5-6-9-20/h10,13H,4-9,11H2,1-3H3,(H2,16,17,18,19)
InChIKeyJKQYBBVKMCCIGT-UHFFFAOYSA-N
XLogP2.50
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-ethoxypropan-2-yl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80813857
5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80792116
4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80801837
4-N-butan-2-yl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80765731
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 102908907
5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80839556
2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80831891
5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773073
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80832239
4-methyl-1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159661
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80804615

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine (CID 80801215) is 5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine is CCCNc1ncc(C)c(NC(C)CN2CCCC2)n1.
What is the InChIKey of 5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is JKQYBBVKMCCIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-7-16-15-17-10-12(2)14(19-15)18-13(3)11-20-8-5-6-9-20/h10,13H,4-9,11H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine?
5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80801215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).