5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine

C12H18N6 — CID 80992963

IUPAC5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1Nc1ccn(C)n1
InChIInChI=1S/C12H18N6/c1-7(2)11-15-10(13)8(3)12(16-11)14-9-5-6-18(4)17-9/h5-7H,1-4H3,(H3,13,14,15,16,17)
InChIKeyCZYLDFFWTVOJNZ-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.97
Rot. Bonds3

About 5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine

5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80992963) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80992963
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1Nc1ccn(C)n1
InChIInChI=1S/C12H18N6/c1-7(2)11-15-10(13)8(3)12(16-11)14-9-5-6-18(4)17-9/h5-7H,1-4H3,(H3,13,14,15,16,17)
InChIKeyCZYLDFFWTVOJNZ-UHFFFAOYSA-N
XLogP1.97
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976348
4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80977168
4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994250
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 80981896
5-methyl-2-propan-2-yl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine
CID 80992552
5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine
CID 80986116
4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976699
3-methyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,5-diamine
CID 79769929
4-N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984374
4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986213
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107801932
5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80994228

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80992963) is 5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)C)nc1Nc1ccn(C)n1.
What is the InChIKey of 5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is CZYLDFFWTVOJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-7(2)11-15-10(13)8(3)12(16-11)14-9-5-6-18(4)17-9/h5-7H,1-4H3,(H3,13,14,15,16,17).
What are the key properties of 5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80992963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).