N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine

C14H13N5O — CID 115144765

IUPACN-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine
SMILESc1nc2c(c(Nc3ccc4ncoc4c3)n1)CNCC2
InChIInChI=1S/C14H13N5O/c1-2-12-13(20-8-18-12)5-9(1)19-14-10-6-15-4-3-11(10)16-7-17-14/h1-2,5,7-8,15H,3-4,6H2,(H,16,17,19)
InChIKeyJAEMZELOUMRXDL-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.01
Rot. Bonds2

About N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine

N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine (PubChem CID 115144765) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine
PubChem CID115144765
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine
SMILESc1nc2c(c(Nc3ccc4ncoc4c3)n1)CNCC2
InChIInChI=1S/C14H13N5O/c1-2-12-13(20-8-18-12)5-9(1)19-14-10-6-15-4-3-11(10)16-7-17-14/h1-2,5,7-8,15H,3-4,6H2,(H,16,17,19)
InChIKeyJAEMZELOUMRXDL-UHFFFAOYSA-N
XLogP2.01
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine with MolForge

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Related Compounds

N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 59346476
3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol
CID 117101697
N-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102186
N-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102184
N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 59021462
1,3-benzoxazol-6-amine
CID 584120
3-(1,3-benzoxazol-6-ylamino)-4-(cyclobutylamino)cyclobut-3-ene-1,2-dione
CID 175495917
N-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 142062426
2-[[6-(1,3-benzoxazol-6-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264789
N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine
CID 115209518
3-(1,3-benzoxazol-6-ylamino)-4-(3-methylanilino)cyclobut-3-ene-1,2-dione
CID 175495895
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine (CID 115144765) is N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine is c1nc2c(c(Nc3ccc4ncoc4c3)n1)CNCC2.
What is the InChIKey of N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine?
The InChIKey is JAEMZELOUMRXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-2-12-13(20-8-18-12)5-9(1)19-14-10-6-15-4-3-11(10)16-7-17-14/h1-2,5,7-8,15H,3-4,6H2,(H,16,17,19).
What are the key properties of N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine?
N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine has a molecular weight of 267.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 115144765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).