N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine

C11H15N5O — CID 136575145

IUPACN-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCc2n[nH]c(C)c2C)n1
InChIInChI=1S/C11H15N5O/c1-7-8(2)15-16-9(7)6-13-11-12-5-4-10(14-11)17-3/h4-5H,6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyHFNSMMVUXSXGNO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.44
Rot. Bonds4

About N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine

N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine (PubChem CID 136575145) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine
PubChem CID136575145
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCc2n[nH]c(C)c2C)n1
InChIInChI=1S/C11H15N5O/c1-7-8(2)15-16-9(7)6-13-11-12-5-4-10(14-11)17-3/h4-5H,6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyHFNSMMVUXSXGNO-UHFFFAOYSA-N
XLogP1.44
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine (CID 136575145) is N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NCc2n[nH]c(C)c2C)n1.
What is the InChIKey of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is HFNSMMVUXSXGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-8(2)15-16-9(7)6-13-11-12-5-4-10(14-11)17-3/h4-5H,6H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine?
N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 233.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 136575145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).