[(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone

C18H24N6O3 — CID 95119604

IUPAC[(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESNc1nc(N[C@H]2CCCN(C(=O)c3ccco3)C2)cc(N2CCOCC2)n1
InChIInChI=1S/C18H24N6O3/c19-18-21-15(11-16(22-18)23-6-9-26-10-7-23)20-13-3-1-5-24(12-13)17(25)14-4-2-8-27-14/h2,4,8,11,13H,1,3,5-7,9-10,12H2,(H3,19,20,21,22)/t13-/m0/s1
InChIKeyHOFKRKIMUGRXSF-ZDUSSCGKSA-N
MW372.43 g/mol
LogP1.21
Rot. Bonds4

About [(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone

[(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 95119604) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is [(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID95119604
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name[(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESNc1nc(N[C@H]2CCCN(C(=O)c3ccco3)C2)cc(N2CCOCC2)n1
InChIInChI=1S/C18H24N6O3/c19-18-21-15(11-16(22-18)23-6-9-26-10-7-23)20-13-3-1-5-24(12-13)17(25)14-4-2-8-27-14/h2,4,8,11,13H,1,3,5-7,9-10,12H2,(H3,19,20,21,22)/t13-/m0/s1
InChIKeyHOFKRKIMUGRXSF-ZDUSSCGKSA-N
XLogP1.21
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14156152
furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 50962643
[(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 95719033
[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 134697643
4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 117085878
furan-2-yl-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 74239566
furan-2-yl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185889
[4-[2-(cycloheptylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923752
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 109353067
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone (CID 95119604) is [(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone is Nc1nc(N[C@H]2CCCN(C(=O)c3ccco3)C2)cc(N2CCOCC2)n1.
What is the InChIKey of [(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is HOFKRKIMUGRXSF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N6O3/c19-18-21-15(11-16(22-18)23-6-9-26-10-7-23)20-13-3-1-5-24(12-13)17(25)14-4-2-8-27-14/h2,4,8,11,13H,1,3,5-7,9-10,12H2,(H3,19,20,21,22)/t13-/m0/s1.
What are the key properties of [(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
[(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 372.43 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 95119604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).