N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine

C13H19N5O — CID 95127371

IUPACN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N[C@@H](C)Cn2nc(C)cc2C)ncn1
InChIInChI=1S/C13H19N5O/c1-9-5-11(3)18(17-9)7-10(2)16-12-6-13(19-4)15-8-14-12/h5-6,8,10H,7H2,1-4H3,(H,14,15,16)/t10-/m0/s1
InChIKeyGVFQZNIRKNDRGW-JTQLQIEISA-N
MW261.33 g/mol
LogP1.80
Rot. Bonds5

About N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine

N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine (PubChem CID 95127371) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine
PubChem CID95127371
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N[C@@H](C)Cn2nc(C)cc2C)ncn1
InChIInChI=1S/C13H19N5O/c1-9-5-11(3)18(17-9)7-10(2)16-12-6-13(19-4)15-8-14-12/h5-6,8,10H,7H2,1-4H3,(H,14,15,16)/t10-/m0/s1
InChIKeyGVFQZNIRKNDRGW-JTQLQIEISA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine (CID 95127371) is N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine is COc1cc(N[C@@H](C)Cn2nc(C)cc2C)ncn1.
What is the InChIKey of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine?
The InChIKey is GVFQZNIRKNDRGW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-5-11(3)18(17-9)7-10(2)16-12-6-13(19-4)15-8-14-12/h5-6,8,10H,7H2,1-4H3,(H,14,15,16)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine?
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 95127371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).