5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol

C16H23ClN6O2 — CID 171659515

IUPAC5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol
SMILESCN1CCn2c(-c3nc(N)ncc3Cl)cnc2C1.OC1CCCOC1
InChIInChI=1S/C11H13ClN6.C5H10O2/c1-17-2-3-18-8(5-14-9(18)6-17)10-7(12)4-15-11(13)16-10;6-5-2-1-3-7-4-5/h4-5H,2-3,6H2,1H3,(H2,13,15,16);5-6H,1-4H2
InChIKeyUVQLNFODNBTPPF-UHFFFAOYSA-N
MW366.85 g/mol
LogP1.18
Rot. Bonds1

About 5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol

5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol (PubChem CID 171659515) has the molecular formula C16H23ClN6O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol.

Molecular Properties

Compound Name5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol
PubChem CID171659515
Molecular FormulaC16H23ClN6O2
Molecular Weight366.85 g/mol
Exact Mass366.16
IUPAC Name5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol
SMILESCN1CCn2c(-c3nc(N)ncc3Cl)cnc2C1.OC1CCCOC1
InChIInChI=1S/C11H13ClN6.C5H10O2/c1-17-2-3-18-8(5-14-9(18)6-17)10-7(12)4-15-11(13)16-10;6-5-2-1-3-7-4-5/h4-5H,2-3,6H2,1H3,(H2,13,15,16);5-6H,1-4H2
InChIKeyUVQLNFODNBTPPF-UHFFFAOYSA-N
XLogP1.18
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659961
5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol
CID 171661359
5-chloro-4-[5-(4-methoxy-1-methylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyrimidin-2-amine;oxan-3-ol
CID 171661090
CID 171659458
CID 171659458
5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol
CID 171660077
5-chloro-4-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]pyrimidin-2-amine;oxan-3-ol
CID 171660576
5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol
CID 171660248
5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol
CID 171661024
5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659421
5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol
CID 171660840
2-[6-(2-amino-5-chloropyrimidin-4-yl)-4-chloro-8-fluoroquinolin-3-yl]propan-2-ol;oxepan-3-ol
CID 176685721
5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 176688856

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol?
The IUPAC name of 5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol (CID 171659515) is 5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol.
What is the SMILES notation for 5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol?
The canonical SMILES for 5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol is CN1CCn2c(-c3nc(N)ncc3Cl)cnc2C1.OC1CCCOC1.
What is the InChIKey of 5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol?
The InChIKey is UVQLNFODNBTPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6.C5H10O2/c1-17-2-3-18-8(5-14-9(18)6-17)10-7(12)4-15-11(13)16-10;6-5-2-1-3-7-4-5/h4-5H,2-3,6H2,1H3,(H2,13,15,16);5-6H,1-4H2.
What are the key properties of 5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol?
5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol has a molecular weight of 366.85 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol is sourced from PubChem (CID 171659515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).