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

C13H20N6 — CID 80848886

IUPAC6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2c(C)nn(C)c2C)c1C
InChIInChI=1S/C13H20N6/c1-8-12(14-4)16-7-17-13(8)15-6-11-9(2)18-19(5)10(11)3/h7H,6H2,1-5H3,(H2,14,15,16,17)
InChIKeyUCVSQAQSHFZNLN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.79
Rot. Bonds4

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

6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80848886) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80848886
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2c(C)nn(C)c2C)c1C
InChIInChI=1S/C13H20N6/c1-8-12(14-4)16-7-17-13(8)15-6-11-9(2)18-19(5)10(11)3/h7H,6H2,1-5H3,(H2,14,15,16,17)
InChIKeyUCVSQAQSHFZNLN-UHFFFAOYSA-N
XLogP1.79
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinazolin-4-amine
CID 110431581
3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 113243769
4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80848172
2,5-dichloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 79633437
3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 112675968
5-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 79556372
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 79033643
2-N,2-N,6-N-trimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80835200
5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136976291
2-N,2-N-dimethyl-5-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43690392
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 79042080
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 78995441

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine (CID 80848886) is 6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine is CNc1ncnc(NCc2c(C)nn(C)c2C)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is UCVSQAQSHFZNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-8-12(14-4)16-7-17-13(8)15-6-11-9(2)18-19(5)10(11)3/h7H,6H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80848886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).