6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C14H21N5O — CID 136547843

IUPAC6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)C1CCCC1Nc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C14H21N5O/c1-14(2,3)9-5-4-6-10(9)16-13-17-11-8(7-15-19-11)12(20)18-13/h7,9-10H,4-6H2,1-3H3,(H3,15,16,17,18,19,20)
InChIKeyULJKPENFSNNLQM-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.27
Rot. Bonds2

About 6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136547843) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136547843
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)C1CCCC1Nc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C14H21N5O/c1-14(2,3)9-5-4-6-10(9)16-13-17-11-8(7-15-19-11)12(20)18-13/h7,9-10H,4-6H2,1-3H3,(H3,15,16,17,18,19,20)
InChIKeyULJKPENFSNNLQM-UHFFFAOYSA-N
XLogP2.27
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2,2-Difluorocyclopentyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137239284
6-[[3-(Trifluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137272051
6-[[4-(Difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 154779463
6-(Cyclopentylmethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 136057649
6-Cyclopentyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 136381685
5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 142992702
6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
CID 173826235
6-[3-(Aminomethyl)-3-methylpyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 173826253
6-[4-(Aminomethyl)-4-methylpiperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 173826296
5-amino-N-(2-methylcyclopentyl)-1H-pyrazole-4-carboxamide
CID 63279252
5-amino-N-(1-cyclopentylethyl)-1H-pyrazole-4-carboxamide
CID 64110964
5-amino-N-(2,3-dimethylcyclopentyl)-1H-pyrazole-4-carboxamide
CID 64923439

Frequently Asked Questions

What is the IUPAC name of 6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 136547843) is 6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)C1CCCC1Nc1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ULJKPENFSNNLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,3)9-5-4-6-10(9)16-13-17-11-8(7-15-19-11)12(20)18-13/h7,9-10H,4-6H2,1-3H3,(H3,15,16,17,18,19,20).
What are the key properties of 6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 275.36 g/mol, XLogP of 2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136547843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).