(6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine

C17H22ClN5 — CID 141215628

IUPAC(6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine
SMILESCCc1nc(Cl)nc2c1-n1cncc1[C@@H](CC)N2C1CCCC1
InChIInChI=1S/C17H22ClN5/c1-3-12-15-16(21-17(18)20-12)23(11-7-5-6-8-11)13(4-2)14-9-19-10-22(14)15/h9-11,13H,3-8H2,1-2H3/t13-/m1/s1
InChIKeyDPFAAALKCSFXOS-CYBMUJFWSA-N
MW331.85 g/mol
LogP4.09
Rot. Bonds3

About (6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine

(6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine (PubChem CID 141215628) has the molecular formula C17H22ClN5 and a molecular weight of 331.85 g/mol. Its IUPAC name is (6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine.

Molecular Properties

Compound Name(6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine
PubChem CID141215628
Molecular FormulaC17H22ClN5
Molecular Weight331.85 g/mol
Exact Mass331.16
IUPAC Name(6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine
SMILESCCc1nc(Cl)nc2c1-n1cncc1[C@@H](CC)N2C1CCCC1
InChIInChI=1S/C17H22ClN5/c1-3-12-15-16(21-17(18)20-12)23(11-7-5-6-8-11)13(4-2)14-9-19-10-22(14)15/h9-11,13H,3-8H2,1-2H3/t13-/m1/s1
InChIKeyDPFAAALKCSFXOS-CYBMUJFWSA-N
XLogP4.09
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-6-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazin-2-amine
CID 110257049
2-Methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine
CID 110270873
Imidazo[1,5-a]pyrazine,1-ethyl-8-(4-thiomorpholinyl)-
CID 53172218
6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 47035061
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 155282172
5,7-Dimethyl-3-piperidin-1-ylimidazo[1,2-a]pyrimidine
CID 134862787
6-ethyl-5-fluoro-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 128966222
6-ethyl-5-fluoro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)pyrimidin-4-amine
CID 128991240
6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 129336733
6-ethyl-5-fluoro-N-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 129336734
6-ethyl-5-fluoro-N-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 129340084
6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 129340085

Frequently Asked Questions

What is the IUPAC name of (6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine?
The IUPAC name of (6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine (CID 141215628) is (6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine.
What is the SMILES notation for (6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine?
The canonical SMILES for (6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine is CCc1nc(Cl)nc2c1-n1cncc1[C@@H](CC)N2C1CCCC1.
What is the InChIKey of (6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine?
The InChIKey is DPFAAALKCSFXOS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22ClN5/c1-3-12-15-16(21-17(18)20-12)23(11-7-5-6-8-11)13(4-2)14-9-19-10-22(14)15/h9-11,13H,3-8H2,1-2H3/t13-/m1/s1.
What are the key properties of (6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine?
(6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine has a molecular weight of 331.85 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-chloro-5-cyclopentyl-1,6-diethyl-6H-imidazo[1,5-f]pteridine is sourced from PubChem (CID 141215628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).