6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine

C12H17N5O — CID 95147282

IUPAC6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
SMILESCC[C@H](Nc1cc(OC)ncn1)c1cnn(C)c1
InChIInChI=1S/C12H17N5O/c1-4-10(9-6-15-17(2)7-9)16-11-5-12(18-3)14-8-13-11/h5-8,10H,4H2,1-3H3,(H,13,14,16)/t10-/m0/s1
InChIKeyCGVMFOUMASDPRZ-JTQLQIEISA-N
MW247.30 g/mol
LogP1.78
Rot. Bonds5

About 6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine

6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine (PubChem CID 95147282) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
PubChem CID95147282
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
SMILESCC[C@H](Nc1cc(OC)ncn1)c1cnn(C)c1
InChIInChI=1S/C12H17N5O/c1-4-10(9-6-15-17(2)7-9)16-11-5-12(18-3)14-8-13-11/h5-8,10H,4H2,1-3H3,(H,13,14,16)/t10-/m0/s1
InChIKeyCGVMFOUMASDPRZ-JTQLQIEISA-N
XLogP1.78
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine (CID 95147282) is 6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine is CC[C@H](Nc1cc(OC)ncn1)c1cnn(C)c1.
What is the InChIKey of 6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine?
The InChIKey is CGVMFOUMASDPRZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-10(9-6-15-17(2)7-9)16-11-5-12(18-3)14-8-13-11/h5-8,10H,4H2,1-3H3,(H,13,14,16)/t10-/m0/s1.
What are the key properties of 6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine?
6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 95147282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).