(2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol

C12H17ClN4O — CID 167809745

IUPAC(2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)[C@H](CO)Nc1nc(Cl)cn2ccnc12
InChIInChI=1S/C12H17ClN4O/c1-12(2,3)8(7-18)15-10-11-14-4-5-17(11)6-9(13)16-10/h4-6,8,18H,7H2,1-3H3,(H,15,16)/t8-/m0/s1
InChIKeyAFSCWXHAHOGYIU-QMMMGPOBSA-N
MW268.75 g/mol
LogP2.20
Rot. Bonds3

About (2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol

(2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 167809745) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is (2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID167809745
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name(2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)[C@H](CO)Nc1nc(Cl)cn2ccnc12
InChIInChI=1S/C12H17ClN4O/c1-12(2,3)8(7-18)15-10-11-14-4-5-17(11)6-9(13)16-10/h4-6,8,18H,7H2,1-3H3,(H,15,16)/t8-/m0/s1
InChIKeyAFSCWXHAHOGYIU-QMMMGPOBSA-N
XLogP2.20
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol with MolForge

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Related Compounds

6-chloro-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 84678104
(2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol
CID 80848904
3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpropan-1-ol
CID 79947296
3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol
CID 114152179
6-bromo-N-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazin-8-amine
CID 79958300
8-bromo-6-chloroimidazo[1,2-a]pyrazine
CID 12841570
6-bromo-N-[1-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyrazin-8-amine
CID 79958903
6-bromo-N-(3-methylpentan-2-yl)imidazo[1,2-a]pyrazin-8-amine
CID 79958977
6-N-methyl-8-N-(2,3,3-trimethylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 83147491
(2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 126988145
8-N-(2,2-dimethylpropyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80798027
8-N-(2-methylpentan-3-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80802760

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of (2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol (CID 167809745) is (2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for (2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for (2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol is CC(C)(C)[C@H](CO)Nc1nc(Cl)cn2ccnc12.
What is the InChIKey of (2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is AFSCWXHAHOGYIU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-12(2,3)8(7-18)15-10-11-14-4-5-17(11)6-9(13)16-10/h4-6,8,18H,7H2,1-3H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol?
(2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 268.75 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-chloroimidazo[1,2-a]pyrazin-8-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 167809745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).