N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine

C11H16N6O — CID 112706250

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(NCc2cnn(C)c2N)n1
InChIInChI=1S/C11H16N6O/c1-7-4-9(18-3)16-11(15-7)13-5-8-6-14-17(2)10(8)12/h4,6H,5,12H2,1-3H3,(H,13,15,16)
InChIKeyLXOSQKSAVWZQSD-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.72
Rot. Bonds4

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine (PubChem CID 112706250) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
PubChem CID112706250
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(NCc2cnn(C)c2N)n1
InChIInChI=1S/C11H16N6O/c1-7-4-9(18-3)16-11(15-7)13-5-8-6-14-17(2)10(8)12/h4,6H,5,12H2,1-3H3,(H,13,15,16)
InChIKeyLXOSQKSAVWZQSD-UHFFFAOYSA-N
XLogP0.72
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112691004
N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691839
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 154735469
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 115633925
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103858301
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine
CID 106540865
4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
CID 112636843
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 107605465
4-[(4-methoxy-2-nitroanilino)methyl]-1-methylpyrazol-5-amine
CID 79524317
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 81136342

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine (CID 112706250) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine is COc1cc(C)nc(NCc2cnn(C)c2N)n1.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
The InChIKey is LXOSQKSAVWZQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-4-9(18-3)16-11(15-7)13-5-8-6-14-17(2)10(8)12/h4,6H,5,12H2,1-3H3,(H,13,15,16).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine has a molecular weight of 248.29 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112706250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).