(1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide

C19H26N6O2 — CID 144695409

IUPAC(1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide
SMILESCC(C)(O)c1ccc(Nc2nc(NC3CC[C@@H](C(N)=O)C3)ncc2N)cc1
InChIInChI=1S/C19H26N6O2/c1-19(2,27)12-4-7-13(8-5-12)23-17-15(20)10-22-18(25-17)24-14-6-3-11(9-14)16(21)26/h4-5,7-8,10-11,14,27H,3,6,9,20H2,1-2H3,(H2,21,26)(H2,22,23,24,25)/t11-,14?/m1/s1
InChIKeyUTOUGGQFCMRGPE-YNODCEANSA-N
MW370.46 g/mol
LogP2.10
Rot. Bonds6

About (1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide

(1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide (PubChem CID 144695409) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide
PubChem CID144695409
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name(1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide
SMILESCC(C)(O)c1ccc(Nc2nc(NC3CC[C@@H](C(N)=O)C3)ncc2N)cc1
InChIInChI=1S/C19H26N6O2/c1-19(2,27)12-4-7-13(8-5-12)23-17-15(20)10-22-18(25-17)24-14-6-3-11(9-14)16(21)26/h4-5,7-8,10-11,14,27H,3,6,9,20H2,1-2H3,(H2,21,26)(H2,22,23,24,25)/t11-,14?/m1/s1
InChIKeyUTOUGGQFCMRGPE-YNODCEANSA-N
XLogP2.10
TPSA139.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide
CID 90389749
3-[[8-(4-ethylphenyl)-2,4,7,8-tetrazabicyclo[4.2.0]octa-1,3,5-trien-3-yl]amino]cyclopentane-1-carboxamide
CID 123937106
trans-(1R,3R)-3-[[3-[4-(2-hydroxypropan-2-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389552
trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 90389644
3-[[9-(4-ethyl-3-fluorophenyl)purin-2-yl]amino]cyclopentane-1-carboxamide
CID 123838169
trans-(1R,3R)-3-[[3-(4-iodophenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 86279313
trans-(1R,3R)-3-[[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 90389929
3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167147029
2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide
CID 66576399
trans-(1S,3S)-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
CID 58320383
trans-(1R,3R)-3-[[3-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 90390270
3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 123278474

Frequently Asked Questions

What is the IUPAC name of (1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide?
The IUPAC name of (1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide (CID 144695409) is (1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for (1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for (1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide is CC(C)(O)c1ccc(Nc2nc(NC3CC[C@@H](C(N)=O)C3)ncc2N)cc1.
What is the InChIKey of (1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide?
The InChIKey is UTOUGGQFCMRGPE-YNODCEANSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-19(2,27)12-4-7-13(8-5-12)23-17-15(20)10-22-18(25-17)24-14-6-3-11(9-14)16(21)26/h4-5,7-8,10-11,14,27H,3,6,9,20H2,1-2H3,(H2,21,26)(H2,22,23,24,25)/t11-,14?/m1/s1.
What are the key properties of (1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide?
(1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 144695409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).