N-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine

C16H16N4 — CID 13492281

IUPACN-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine
SMILESc1ccc(Nc2ncnc3[nH]c4c(c23)CCCC4)cc1
InChIInChI=1S/C16H16N4/c1-2-6-11(7-3-1)19-15-14-12-8-4-5-9-13(12)20-16(14)18-10-17-15/h1-3,6-7,10H,4-5,8-9H2,(H2,17,18,19,20)
InChIKeyONNAZAHCACRHEO-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.58
Rot. Bonds2

About N-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine

N-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine (PubChem CID 13492281) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound NameN-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine
PubChem CID13492281
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine
SMILESc1ccc(Nc2ncnc3[nH]c4c(c23)CCCC4)cc1
InChIInChI=1S/C16H16N4/c1-2-6-11(7-3-1)19-15-14-12-8-4-5-9-13(12)20-16(14)18-10-17-15/h1-3,6-7,10H,4-5,8-9H2,(H2,17,18,19,20)
InChIKeyONNAZAHCACRHEO-UHFFFAOYSA-N
XLogP3.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzylaminopurine
CID 62389
2-Amino-9H-pyrido(2,3-b)indole
CID 62805
2-Amino-3-methyl-9H-pyrido(2,3-b)indole
CID 62244
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
Rolodine
CID 5359646
6H-Indolo(2,3-b)quinoxaline
CID 5356192
Luf-5962
CID 11617054
N-(2-phenylethyl)-9H-purin-6-amine
CID 756669
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-Pyrrolo[2,3-b]pyridine
CID 6603897
BN-81,644
CID 9802572

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine?
The IUPAC name of N-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine (CID 13492281) is N-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for N-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine?
The canonical SMILES for N-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine is c1ccc(Nc2ncnc3[nH]c4c(c23)CCCC4)cc1.
What is the InChIKey of N-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is ONNAZAHCACRHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-6-11(7-3-1)19-15-14-12-8-4-5-9-13(12)20-16(14)18-10-17-15/h1-3,6-7,10H,4-5,8-9H2,(H2,17,18,19,20).
What are the key properties of N-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine?
N-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 264.33 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 13492281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).