4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine

C12H17N5O — CID 95277512

IUPAC4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@H](C)[C@H](C)n2cccn2)n1
InChIInChI=1S/C12H17N5O/c1-9(10(2)17-8-4-6-14-17)15-12-13-7-5-11(16-12)18-3/h4-10H,1-3H3,(H,13,15,16)/t9-,10+/m1/s1
InChIKeyVMJGZSNLXPQEHI-ZJUUUORDSA-N
MW247.30 g/mol
LogP1.74
Rot. Bonds5

About 4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine

4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine (PubChem CID 95277512) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine
PubChem CID95277512
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@H](C)[C@H](C)n2cccn2)n1
InChIInChI=1S/C12H17N5O/c1-9(10(2)17-8-4-6-14-17)15-12-13-7-5-11(16-12)18-3/h4-10H,1-3H3,(H,13,15,16)/t9-,10+/m1/s1
InChIKeyVMJGZSNLXPQEHI-ZJUUUORDSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 26436569
4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 112688333
4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine
CID 26006023
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 112685187
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile
CID 95759520
N-(1-chlorobutan-2-yl)-4-methoxypyrimidin-2-amine
CID 65030298
4-methoxy-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-2-amine
CID 112685180
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine
CID 112637352
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide
CID 130219531

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine (CID 95277512) is 4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine is COc1ccnc(N[C@H](C)[C@H](C)n2cccn2)n1.
What is the InChIKey of 4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine?
The InChIKey is VMJGZSNLXPQEHI-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(10(2)17-8-4-6-14-17)15-12-13-7-5-11(16-12)18-3/h4-10H,1-3H3,(H,13,15,16)/t9-,10+/m1/s1.
What are the key properties of 4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine?
4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 95277512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).