[(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone

C16H18N4O2 — CID 95111508

IUPAC[(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CC[C@@H](Nc2ncnc3c2CCC3)C1
InChIInChI=1S/C16H18N4O2/c21-16(14-5-2-8-22-14)20-7-6-11(9-20)19-15-12-3-1-4-13(12)17-10-18-15/h2,5,8,10-11H,1,3-4,6-7,9H2,(H,17,18,19)/t11-/m1/s1
InChIKeyOETBMBGAZKGEQE-LLVKDONJSA-N
MW298.35 g/mol
LogP1.88
Rot. Bonds3

About [(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone

[(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone (PubChem CID 95111508) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone
PubChem CID95111508
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name[(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CC[C@@H](Nc2ncnc3c2CCC3)C1
InChIInChI=1S/C16H18N4O2/c21-16(14-5-2-8-22-14)20-7-6-11(9-20)19-15-12-3-1-4-13(12)17-10-18-15/h2,5,8,10-11H,1,3-4,6-7,9H2,(H,17,18,19)/t11-/m1/s1
InChIKeyOETBMBGAZKGEQE-LLVKDONJSA-N
XLogP1.88
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone
CID 95111503
[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 71836280
[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 134697643
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133373359
furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 50962643
furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone
CID 3227201
furan-2-yl-[4-(pyrimidin-4-ylmethylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]methanone
CID 56916558
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
furan-2-yl-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 74239566
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18149413

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone (CID 95111508) is [(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CC[C@@H](Nc2ncnc3c2CCC3)C1.
What is the InChIKey of [(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is OETBMBGAZKGEQE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(14-5-2-8-22-14)20-7-6-11(9-20)19-15-12-3-1-4-13(12)17-10-18-15/h2,5,8,10-11H,1,3-4,6-7,9H2,(H,17,18,19)/t11-/m1/s1.
What are the key properties of [(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone?
[(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 298.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 95111508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).