N-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine

C13H19N5O — CID 167777442

IUPACN-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine
SMILESCOc1cc(C)nc(CNc2ccn(C(C)C)n2)n1
InChIInChI=1S/C13H19N5O/c1-9(2)18-6-5-11(17-18)14-8-12-15-10(3)7-13(16-12)19-4/h5-7,9H,8H2,1-4H3,(H,14,17)
InChIKeyJJFIOGWLDDPKOP-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.18
Rot. Bonds5

About N-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine

N-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine (PubChem CID 167777442) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine
PubChem CID167777442
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine
SMILESCOc1cc(C)nc(CNc2ccn(C(C)C)n2)n1
InChIInChI=1S/C13H19N5O/c1-9(2)18-6-5-11(17-18)14-8-12-15-10(3)7-13(16-12)19-4/h5-7,9H,8H2,1-4H3,(H,14,17)
InChIKeyJJFIOGWLDDPKOP-UHFFFAOYSA-N
XLogP2.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of N-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine (CID 167777442) is N-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for N-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for N-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine is COc1cc(C)nc(CNc2ccn(C(C)C)n2)n1.
What is the InChIKey of N-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine?
The InChIKey is JJFIOGWLDDPKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9(2)18-6-5-11(17-18)14-8-12-15-10(3)7-13(16-12)19-4/h5-7,9H,8H2,1-4H3,(H,14,17).
What are the key properties of N-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine?
N-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine has a molecular weight of 261.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 167777442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).