3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine

C12H13ClN4O — CID 118310192

IUPAC3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine
SMILESCc1cc2nc(NC3CCOC3)c(Cl)nc2cn1
InChIInChI=1S/C12H13ClN4O/c1-7-4-9-10(5-14-7)16-11(13)12(17-9)15-8-2-3-18-6-8/h4-5,8H,2-3,6H2,1H3,(H,15,17)
InChIKeyURSVAPAXADKYHU-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.19
Rot. Bonds2

About 3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine

3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine (PubChem CID 118310192) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine
PubChem CID118310192
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine
SMILESCc1cc2nc(NC3CCOC3)c(Cl)nc2cn1
InChIInChI=1S/C12H13ClN4O/c1-7-4-9-10(5-14-7)16-11(13)12(17-9)15-8-2-3-18-6-8/h4-5,8H,2-3,6H2,1H3,(H,15,17)
InChIKeyURSVAPAXADKYHU-UHFFFAOYSA-N
XLogP2.19
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine
CID 131042784
6-chloro-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713664
2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 80853565
2-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-[(3R)-oxolan-3-yl]pyrido[3,4-b]pyrazin-3-amine
CID 118320415
2-[4-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazin-1-yl]-7-methyl-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazin-3-amine
CID 118320514
5-methyl-4-N-(oxolan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80853655
5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 131122958
5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 169018423
5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine
CID 106577304
3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine
CID 142247308
4-chloro-6-(oxolan-3-ylamino)pyrimidine-5-carbaldehyde
CID 80714100
5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 136585045

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of 3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine (CID 118310192) is 3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for 3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine is Cc1cc2nc(NC3CCOC3)c(Cl)nc2cn1.
What is the InChIKey of 3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine?
The InChIKey is URSVAPAXADKYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-4-9-10(5-14-7)16-11(13)12(17-9)15-8-2-3-18-6-8/h4-5,8H,2-3,6H2,1H3,(H,15,17).
What are the key properties of 3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine?
3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine has a molecular weight of 264.72 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 118310192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).