5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine

C16H29N5 — CID 80792116

IUPAC5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NCC(C)N2CCCCC2)n1
InChIInChI=1S/C16H29N5/c1-4-8-17-16-19-11-13(2)15(20-16)18-12-14(3)21-9-6-5-7-10-21/h11,14H,4-10,12H2,1-3H3,(H2,17,18,19,20)
InChIKeyXKZVLLGVBSJIJE-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.89
Rot. Bonds7

About 5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine

5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80792116) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80792116
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NCC(C)N2CCCCC2)n1
InChIInChI=1S/C16H29N5/c1-4-8-17-16-19-11-13(2)15(20-16)18-12-14(3)21-9-6-5-7-10-21/h11,14H,4-10,12H2,1-3H3,(H2,17,18,19,20)
InChIKeyXKZVLLGVBSJIJE-UHFFFAOYSA-N
XLogP2.89
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 102908907
5-methyl-2-N-propyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80801215
4-methyl-1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159661
5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80839556
1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 113493071
5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80819201
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80832239
5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine
CID 80847547
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80804615
4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80801837
5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773073

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine (CID 80792116) is 5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(C)c(NCC(C)N2CCCCC2)n1.
What is the InChIKey of 5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is XKZVLLGVBSJIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-8-17-16-19-11-13(2)15(20-16)18-12-14(3)21-9-6-5-7-10-21/h11,14H,4-10,12H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine?
5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80792116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).