4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine

C15H24N6 — CID 80779198

IUPAC4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(N(C)Cc2cnn(C)c2)c1C
InChIInChI=1S/C15H24N6/c1-6-7-16-14-11(2)15(19-12(3)18-14)20(4)9-13-8-17-21(5)10-13/h8,10H,6-7,9H2,1-5H3,(H,16,18,19)
InChIKeyXKCSHLLOEMNZDE-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.29
Rot. Bonds6

About 4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine

4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80779198) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80779198
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(N(C)Cc2cnn(C)c2)c1C
InChIInChI=1S/C15H24N6/c1-6-7-16-14-11(2)15(19-12(3)18-14)20(4)9-13-8-17-21(5)10-13/h8,10H,6-7,9H2,1-5H3,(H,16,18,19)
InChIKeyXKCSHLLOEMNZDE-UHFFFAOYSA-N
XLogP2.29
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80799465
6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 75510113
5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533339
4-N,4-N,2,5-tetramethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766122
4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80986185
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80780316
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine
CID 107379755
6-N,5-diethyl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80799762
6-N,5-dimethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991956
6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 80908447
3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80811510
6-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 79244019

Frequently Asked Questions

What is the IUPAC name of 4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 80779198) is 4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(N(C)Cc2cnn(C)c2)c1C.
What is the InChIKey of 4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is XKCSHLLOEMNZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-6-7-16-14-11(2)15(19-12(3)18-14)20(4)9-13-8-17-21(5)10-13/h8,10H,6-7,9H2,1-5H3,(H,16,18,19).
What are the key properties of 4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80779198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).