trans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide

C20H23N7O — CID 90389749

IUPACtrans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide
SMILESCc1ccc2cc(Nc3nc(N[C@@H]4CC[C@@H](C(N)=O)C4)ncc3N)ccc2n1
InChIInChI=1S/C20H23N7O/c1-11-2-3-12-8-14(6-7-17(12)24-11)25-19-16(21)10-23-20(27-19)26-15-5-4-13(9-15)18(22)28/h2-3,6-8,10,13,15H,4-5,9,21H2,1H3,(H2,22,28)(H2,23,25,26,27)/t13-,15-/m1/s1
InChIKeyOJLJZRHXHOOXHS-UKRRQHHQSA-N
MW377.45 g/mol
LogP2.72
Rot. Bonds5

About trans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide

trans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide (PubChem CID 90389749) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is trans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide
PubChem CID90389749
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Nametrans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide
SMILESCc1ccc2cc(Nc3nc(N[C@@H]4CC[C@@H](C(N)=O)C4)ncc3N)ccc2n1
InChIInChI=1S/C20H23N7O/c1-11-2-3-12-8-14(6-7-17(12)24-11)25-19-16(21)10-23-20(27-19)26-15-5-4-13(9-15)18(22)28/h2-3,6-8,10,13,15H,4-5,9,21H2,1H3,(H2,22,28)(H2,23,25,26,27)/t13-,15-/m1/s1
InChIKeyOJLJZRHXHOOXHS-UKRRQHHQSA-N
XLogP2.72
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze trans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide with MolForge

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Related Compounds

(1R)-3-[[5-amino-4-[4-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide
CID 144695409
(1R)-3-[[4-[(2-methylquinolin-6-yl)amino]-5-nitropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid
CID 90399182
3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
CID 123610593
trans-(1S,3S)-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
CID 58320383
3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 123278474
N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid
CID 129094366
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
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-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 90389644
[(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate
CID 129094406
2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide
CID 166361415

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide (CID 90389749) is trans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide is Cc1ccc2cc(Nc3nc(N[C@@H]4CC[C@@H](C(N)=O)C4)ncc3N)ccc2n1.
What is the InChIKey of trans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide?
The InChIKey is OJLJZRHXHOOXHS-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H23N7O/c1-11-2-3-12-8-14(6-7-17(12)24-11)25-19-16(21)10-23-20(27-19)26-15-5-4-13(9-15)18(22)28/h2-3,6-8,10,13,15H,4-5,9,21H2,1H3,(H2,22,28)(H2,23,25,26,27)/t13-,15-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide?
trans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[[5-amino-4-[(2-methylquinolin-6-yl)amino]pyrimidin-2-yl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 90389749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).