[(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone

C17H20N4O3 — CID 97487478

IUPAC[(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCOC[C@@H]1c1nccc(NC2CCC2)n1
InChIInChI=1S/C17H20N4O3/c22-17(14-5-2-9-24-14)21-8-10-23-11-13(21)16-18-7-6-15(20-16)19-12-3-1-4-12/h2,5-7,9,12-13H,1,3-4,8,10-11H2,(H,18,19,20)/t13-/m1/s1
InChIKeyJXEYYKZCQNZLNF-CYBMUJFWSA-N
MW328.37 g/mol
LogP2.25
Rot. Bonds4

About [(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone

[(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone (PubChem CID 97487478) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is [(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone
PubChem CID97487478
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name[(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCOC[C@@H]1c1nccc(NC2CCC2)n1
InChIInChI=1S/C17H20N4O3/c22-17(14-5-2-9-24-14)21-8-10-23-11-13(21)16-18-7-6-15(20-16)19-12-3-1-4-12/h2,5-7,9,12-13H,1,3-4,8,10-11H2,(H,18,19,20)/t13-/m1/s1
InChIKeyJXEYYKZCQNZLNF-CYBMUJFWSA-N
XLogP2.25
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

[(3R)-3-[4-(cyclopentylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 97485514
1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile
CID 131687139
N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine
CID 97486462
phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
CID 133140572
2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131657179
N-cyclobutyl-2-[4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 171695745
[(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483143
[(3R)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483141
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 97486330
N-cyclopentyl-2-[4-(oxan-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155846866
2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131644550

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone (CID 97487478) is [(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCOC[C@@H]1c1nccc(NC2CCC2)n1.
What is the InChIKey of [(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone?
The InChIKey is JXEYYKZCQNZLNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-17(14-5-2-9-24-14)21-8-10-23-11-13(21)16-18-7-6-15(20-16)19-12-3-1-4-12/h2,5-7,9,12-13H,1,3-4,8,10-11H2,(H,18,19,20)/t13-/m1/s1.
What are the key properties of [(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone?
[(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone has a molecular weight of 328.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 97487478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).