cyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone

C18H24N4O2 — CID 97477891

IUPACcyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
SMILESO=C(C1=CCCC1)N1CCOC[C@@H]1c1nccc(NCC2CC2)n1
InChIInChI=1S/C18H24N4O2/c23-18(14-3-1-2-4-14)22-9-10-24-12-15(22)17-19-8-7-16(21-17)20-11-13-5-6-13/h3,7-8,13,15H,1-2,4-6,9-12H2,(H,19,20,21)/t15-/m1/s1
InChIKeyIVFSHURNEYJQPU-OAHLLOKOSA-N
MW328.42 g/mol
LogP2.31
Rot. Bonds5

About cyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone

cyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone (PubChem CID 97477891) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is cyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
PubChem CID97477891
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Namecyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
SMILESO=C(C1=CCCC1)N1CCOC[C@@H]1c1nccc(NCC2CC2)n1
InChIInChI=1S/C18H24N4O2/c23-18(14-3-1-2-4-14)22-9-10-24-12-15(22)17-19-8-7-16(21-17)20-11-13-5-6-13/h3,7-8,13,15H,1-2,4-6,9-12H2,(H,19,20,21)/t15-/m1/s1
InChIKeyIVFSHURNEYJQPU-OAHLLOKOSA-N
XLogP2.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]cyclopentene-1-carboxamide
CID 129006488
[3-[4-(Cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone
CID 131687222
(Z)-3-cyclopropyl-2-fluoro-N-[(3S,4S)-3-[(2-methylpyrimidin-4-yl)amino]oxan-4-yl]but-2-enamide
CID 136589026
(Z)-3-cyclopropyl-2-fluoro-N-[(3R,4R)-3-[(2-methylpyrimidin-4-yl)amino]oxan-4-yl]but-2-enamide
CID 138012716
Cyclohexen-1-yl-[3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155825836
2-(Cyclohexen-1-yl)-1-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155830638
Cyclopenten-1-yl-[3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155839853
Cyclopenten-1-yl-[3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155851849
1-[3-[4-(Cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-2-(cyclohexen-1-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155861610
N-[1-(2-pyrimidinyl)-3-piperidinyl]-1-cyclohexene-1-carboxamide
CID 45210581
5-[[4-[8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidin-2-yl]amino]-N-ethyl-2-methylcyclohepta-1,4,6-triene-1-carboxamide
CID 132174568
N-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-6-methyl-N-piperidin-3-yl-2,3,6,7-tetrahydro-1-benzofuran-5-carboxamide
CID 143029257

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone (CID 97477891) is cyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone is O=C(C1=CCCC1)N1CCOC[C@@H]1c1nccc(NCC2CC2)n1.
What is the InChIKey of cyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone?
The InChIKey is IVFSHURNEYJQPU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18(14-3-1-2-4-14)22-9-10-24-12-15(22)17-19-8-7-16(21-17)20-11-13-5-6-13/h3,7-8,13,15H,1-2,4-6,9-12H2,(H,19,20,21)/t15-/m1/s1.
What are the key properties of cyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone?
cyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 97477891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).