6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

C13H19N5O — CID 75510113

IUPAC6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOc1nc(C)nc(N(C)Cc2cnn(C)c2)c1C
InChIInChI=1S/C13H19N5O/c1-9-12(15-10(2)16-13(9)19-5)17(3)7-11-6-14-18(4)8-11/h6,8H,7H2,1-5H3
InChIKeySJPMKFGTQZAUQW-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.47
Rot. Bonds4

About 6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 75510113) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID75510113
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOc1nc(C)nc(N(C)Cc2cnn(C)c2)c1C
InChIInChI=1S/C13H19N5O/c1-9-12(15-10(2)16-13(9)19-5)17(3)7-11-6-14-18(4)8-11/h6,8H,7H2,1-5H3
InChIKeySJPMKFGTQZAUQW-UHFFFAOYSA-N
XLogP1.47
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 75510113) is 6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is COc1nc(C)nc(N(C)Cc2cnn(C)c2)c1C.
What is the InChIKey of 6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is SJPMKFGTQZAUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-12(15-10(2)16-13(9)19-5)17(3)7-11-6-14-18(4)8-11/h6,8H,7H2,1-5H3.
What are the key properties of 6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 75510113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).