N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine

C13H19N5O2 — CID 131948607

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine
SMILESCOc1cc(OC)nc(N(C)Cc2cn(C)nc2C)n1
InChIInChI=1S/C13H19N5O2/c1-9-10(8-18(3)16-9)7-17(2)13-14-11(19-4)6-12(15-13)20-5/h6,8H,7H2,1-5H3
InChIKeyPBIHUGNMGBXDCV-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.17
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine (PubChem CID 131948607) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine
PubChem CID131948607
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine
SMILESCOc1cc(OC)nc(N(C)Cc2cn(C)nc2C)n1
InChIInChI=1S/C13H19N5O2/c1-9-10(8-18(3)16-9)7-17(2)13-14-11(19-4)6-12(15-13)20-5/h6,8H,7H2,1-5H3
InChIKeyPBIHUGNMGBXDCV-UHFFFAOYSA-N
XLogP1.17
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine (CID 131948607) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine is COc1cc(OC)nc(N(C)Cc2cn(C)nc2C)n1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine?
The InChIKey is PBIHUGNMGBXDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-10(8-18(3)16-9)7-17(2)13-14-11(19-4)6-12(15-13)20-5/h6,8H,7H2,1-5H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine has a molecular weight of 277.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 131948607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).