(2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine

C16H24N6O — CID 95277071

IUPAC(2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H](NCc1cnc(N2CCOCC2)nc1)[C@H](C)n1cccn1
InChIInChI=1S/C16H24N6O/c1-13(14(2)22-5-3-4-20-22)17-10-15-11-18-16(19-12-15)21-6-8-23-9-7-21/h3-5,11-14,17H,6-10H2,1-2H3/t13-,14-/m0/s1
InChIKeySHVAQJFCUQBIEB-KBPBESRZSA-N
MW316.41 g/mol
LogP1.25
Rot. Bonds6

About (2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine

(2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (PubChem CID 95277071) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is (2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
PubChem CID95277071
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name(2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H](NCc1cnc(N2CCOCC2)nc1)[C@H](C)n1cccn1
InChIInChI=1S/C16H24N6O/c1-13(14(2)22-5-3-4-20-22)17-10-15-11-18-16(19-12-15)21-6-8-23-9-7-21/h3-5,11-14,17H,6-10H2,1-2H3/t13-,14-/m0/s1
InChIKeySHVAQJFCUQBIEB-KBPBESRZSA-N
XLogP1.25
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(6-Pyrazol-1-ylpyrimidin-4-yl)morpholine
CID 661544
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45831220
1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]propan-2-amine
CID 53522536
1-[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53560138
N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 56817472
2-[2-(4-Methylpyrazol-1-yl)ethylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 72142066
(4aR,7aS)-6-[(1-methylpyrazol-4-yl)methyl]-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97377521
4-(2-butyl)amino-1-{4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}-1H-pyrazole
CID 14726867
N-(3-morpholin-4-ylpropyl)-6-pyrazol-1-ylpyrazin-2-amine
CID 53501085
N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrimidin-2-amine
CID 72904896
4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine
CID 95128656
(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-2-amine
CID 95290649

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (CID 95277071) is (2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is C[C@H](NCc1cnc(N2CCOCC2)nc1)[C@H](C)n1cccn1.
What is the InChIKey of (2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The InChIKey is SHVAQJFCUQBIEB-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24N6O/c1-13(14(2)22-5-3-4-20-22)17-10-15-11-18-16(19-12-15)21-6-8-23-9-7-21/h3-5,11-14,17H,6-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
(2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine has a molecular weight of 316.41 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 95277071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).