6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine

C15H24N6 — CID 80959085

IUPAC6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2c(C)nn(C)c2C)nc(C(C)C)n1
InChIInChI=1S/C15H24N6/c1-9(2)15-18-13(16-5)7-14(19-15)17-8-12-10(3)20-21(6)11(12)4/h7,9H,8H2,1-6H3,(H2,16,17,18,19)
InChIKeyYPRYJWWQMSEEID-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.60
Rot. Bonds5

About 6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine

6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80959085) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80959085
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2c(C)nn(C)c2C)nc(C(C)C)n1
InChIInChI=1S/C15H24N6/c1-9(2)15-18-13(16-5)7-14(19-15)17-8-12-10(3)20-21(6)11(12)4/h7,9H,8H2,1-6H3,(H2,16,17,18,19)
InChIKeyYPRYJWWQMSEEID-UHFFFAOYSA-N
XLogP2.60
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 115991895
2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 133409185
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106304478
6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 78990644
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957808
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 112672280
4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106900939
4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956053
2-chloro-6-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 114562739
4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80848172
6-N-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957538
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106378503

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine (CID 80959085) is 6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine is CNc1cc(NCc2c(C)nn(C)c2C)nc(C(C)C)n1.
What is the InChIKey of 6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is YPRYJWWQMSEEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-9(2)15-18-13(16-5)7-14(19-15)17-8-12-10(3)20-21(6)11(12)4/h7,9H,8H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80959085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).