N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine

C11H15N5O — CID 114256795

IUPACN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCOc1cc(CNc2ccnc(C)n2)nn1C
InChIInChI=1S/C11H15N5O/c1-8-12-5-4-10(14-8)13-7-9-6-11(17-3)16(2)15-9/h4-6H,7H2,1-3H3,(H,12,13,14)
InChIKeyNXRNKXQSRZWGQN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.14
Rot. Bonds4

About N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine

N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 114256795) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine
PubChem CID114256795
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCOc1cc(CNc2ccnc(C)n2)nn1C
InChIInChI=1S/C11H15N5O/c1-8-12-5-4-10(14-8)13-7-9-6-11(17-3)16(2)15-9/h4-6H,7H2,1-3H3,(H,12,13,14)
InChIKeyNXRNKXQSRZWGQN-UHFFFAOYSA-N
XLogP1.14
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-6-methylpyridin-2-amine
CID 114256789
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114256788
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-1,3-oxazole-4-carboxylic acid
CID 114256011
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]benzonitrile
CID 114255950
3-ethyl-5-methoxy-1-methylpyrazole
CID 165138939
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 62784912
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine
CID 135098698
6-chloro-5-ethyl-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 114256242
1-(5-bromo-2-pyridinyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine
CID 114255534
N-(furan-3-ylmethyl)-2-methylpyrimidin-4-amine
CID 115657207
N-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine
CID 125420725
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide
CID 114255764

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine (CID 114256795) is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine is COc1cc(CNc2ccnc(C)n2)nn1C.
What is the InChIKey of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is NXRNKXQSRZWGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-12-5-4-10(14-8)13-7-9-6-11(17-3)16(2)15-9/h4-6H,7H2,1-3H3,(H,12,13,14).
What are the key properties of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine?
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 233.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 114256795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).