4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine

C12H17N5O — CID 138042899

IUPAC4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(N(C)Cc2cnn(C)c2)n1
InChIInChI=1S/C12H17N5O/c1-9-5-11(18-4)15-12(14-9)16(2)7-10-6-13-17(3)8-10/h5-6,8H,7H2,1-4H3
InChIKeyXXNFKTWVPLGWBK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.16
Rot. Bonds4

About 4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine

4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 138042899) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID138042899
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(N(C)Cc2cnn(C)c2)n1
InChIInChI=1S/C12H17N5O/c1-9-5-11(18-4)15-12(14-9)16(2)7-10-6-13-17(3)8-10/h5-6,8H,7H2,1-4H3
InChIKeyXXNFKTWVPLGWBK-UHFFFAOYSA-N
XLogP1.16
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 103726633
4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
CID 167840227
6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 75510113
N-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine
CID 115973315
6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 154749946
4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 171691462
N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 135095517
6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80779197
2-fluoro-5-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 107258923
methyl 5-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113306967
N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine
CID 26449466
4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864252

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine (CID 138042899) is 4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine is COc1cc(C)nc(N(C)Cc2cnn(C)c2)n1.
What is the InChIKey of 4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is XXNFKTWVPLGWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-5-11(18-4)15-12(14-9)16(2)7-10-6-13-17(3)8-10/h5-6,8H,7H2,1-4H3.
What are the key properties of 4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 138042899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).