6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

C13H20N6 — CID 80957808

IUPAC6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cnn(C)c2)nc(C(C)C)n1
InChIInChI=1S/C13H20N6/c1-9(2)13-17-11(14-3)5-12(18-13)15-6-10-7-16-19(4)8-10/h5,7-9H,6H2,1-4H3,(H2,14,15,17,18)
InChIKeyOJANZUFMOGIIFD-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.99
Rot. Bonds5

About 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80957808) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80957808
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cnn(C)c2)nc(C(C)C)n1
InChIInChI=1S/C13H20N6/c1-9(2)13-17-11(14-3)5-12(18-13)15-6-10-7-16-19(4)8-10/h5,7-9H,6H2,1-4H3,(H2,14,15,17,18)
InChIKeyOJANZUFMOGIIFD-UHFFFAOYSA-N
XLogP1.99
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80817082
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 115991895
4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106900939
6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 78955267
4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956053
4-N-[(3,4-difluorophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961685
5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 146145487
2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 80937217
6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80959085
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 155403307
2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80966249
2-ethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935409

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80957808) is 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is CNc1cc(NCc2cnn(C)c2)nc(C(C)C)n1.
What is the InChIKey of 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is OJANZUFMOGIIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-9(2)13-17-11(14-3)5-12(18-13)15-6-10-7-16-19(4)8-10/h5,7-9H,6H2,1-4H3,(H2,14,15,17,18).
What are the key properties of 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80957808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).