4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine

C16H13N5O — CID 5257255

IUPAC4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
SMILESCOc1ccc2[nH]c3c(-c4ccnc(N)n4)nccc3c2c1
InChIInChI=1S/C16H13N5O/c1-22-9-2-3-12-11(8-9)10-4-6-18-15(14(10)20-12)13-5-7-19-16(17)21-13/h2-8,20H,1H3,(H2,17,19,21)
InChIKeyHLTDPJMFZSBTFO-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.76
Rot. Bonds2

About 4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine

4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine (PubChem CID 5257255) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
PubChem CID5257255
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
SMILESCOc1ccc2[nH]c3c(-c4ccnc(N)n4)nccc3c2c1
InChIInChI=1S/C16H13N5O/c1-22-9-2-3-12-11(8-9)10-4-6-18-15(14(10)20-12)13-5-7-19-16(17)21-13/h2-8,20H,1H3,(H2,17,19,21)
InChIKeyHLTDPJMFZSBTFO-UHFFFAOYSA-N
XLogP2.76
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257090
1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole
CID 134134625
1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole
CID 134849305
4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
CID 39733899
4-(2-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 115505211
1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole
CID 71740737
9-methoxy-N,5-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
CID 70887380
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole
CID 3047245
3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole
CID 10758096
1,9-dimethoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 14476701
8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
CID 68935708

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine (CID 5257255) is 4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine is COc1ccc2[nH]c3c(-c4ccnc(N)n4)nccc3c2c1.
What is the InChIKey of 4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine?
The InChIKey is HLTDPJMFZSBTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-22-9-2-3-12-11(8-9)10-4-6-18-15(14(10)20-12)13-5-7-19-16(17)21-13/h2-8,20H,1H3,(H2,17,19,21).
What are the key properties of 4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine?
4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine has a molecular weight of 291.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 5257255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).