N-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

C19H26N4 — CID 112925677

IUPACN-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCCCCN(C)c1cc(C)nc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C19H26N4/c1-5-6-11-22(4)18-12-14(2)20-19(21-18)23-15(3)13-16-9-7-8-10-17(16)23/h7-10,12,15H,5-6,11,13H2,1-4H3
InChIKeyWCDQEAWCCAHDTH-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.10
Rot. Bonds5

About N-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

N-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (PubChem CID 112925677) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is N-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
PubChem CID112925677
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC NameN-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCCCCN(C)c1cc(C)nc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C19H26N4/c1-5-6-11-22(4)18-12-14(2)20-19(21-18)23-15(3)13-16-9-7-8-10-17(16)23/h7-10,12,15H,5-6,11,13H2,1-4H3
InChIKeyWCDQEAWCCAHDTH-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (CID 112925677) is N-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is CCCCN(C)c1cc(C)nc(N2c3ccccc3CC2C)n1.
What is the InChIKey of N-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The InChIKey is WCDQEAWCCAHDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-5-6-11-22(4)18-12-14(2)20-19(21-18)23-15(3)13-16-9-7-8-10-17(16)23/h7-10,12,15H,5-6,11,13H2,1-4H3.
What are the key properties of N-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
N-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine has a molecular weight of 310.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112925677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).