N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine

C15H18N4 — CID 944182

IUPACN-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCC(C)CCNc1ncnc2c1[nH]c1ccccc12
InChIInChI=1S/C15H18N4/c1-10(2)7-8-16-15-14-13(17-9-18-15)11-5-3-4-6-12(11)19-14/h3-6,9-10,19H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyHOQXCWTUJBEZNQ-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.57
Rot. Bonds4

About N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine

N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 944182) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID944182
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCC(C)CCNc1ncnc2c1[nH]c1ccccc12
InChIInChI=1S/C15H18N4/c1-10(2)7-8-16-15-14-13(17-9-18-15)11-5-3-4-6-12(11)19-14/h3-6,9-10,19H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyHOQXCWTUJBEZNQ-UHFFFAOYSA-N
XLogP3.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine (CID 944182) is N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine is CC(C)CCNc1ncnc2c1[nH]c1ccccc12.
What is the InChIKey of N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is HOQXCWTUJBEZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10(2)7-8-16-15-14-13(17-9-18-15)11-5-3-4-6-12(11)19-14/h3-6,9-10,19H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine?
N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 254.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 944182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).