5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine

C16H28N4 — CID 80847547

IUPAC5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NC2CCCCCC2C)n1
InChIInChI=1S/C16H28N4/c1-4-10-17-16-18-11-13(3)15(20-16)19-14-9-7-5-6-8-12(14)2/h11-12,14H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyNBXWHBNBWIPBRN-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.99
Rot. Bonds5

About 5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine

5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80847547) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80847547
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NC2CCCCCC2C)n1
InChIInChI=1S/C16H28N4/c1-4-10-17-16-18-11-13(3)15(20-16)19-14-9-7-5-6-8-12(14)2/h11-12,14H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyNBXWHBNBWIPBRN-UHFFFAOYSA-N
XLogP3.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dimethylcyclohexyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80777222
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80804615
2-N-ethyl-5-fluoro-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777660
5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777337
4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80801837
2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80827247
5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830803
5-methyl-4-N-(oxolan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80853655
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine
CID 102755687
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine
CID 80817562

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine (CID 80847547) is 5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(C)c(NC2CCCCCC2C)n1.
What is the InChIKey of 5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is NBXWHBNBWIPBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-10-17-16-18-11-13(3)15(20-16)19-14-9-7-5-6-8-12(14)2/h11-12,14H,4-10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine?
5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80847547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).