N-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine

C19H24N4 — CID 53301191

IUPACN-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cc(C)n2c(NCc3ccccc3)c(CC(C)C)nc2n1
InChIInChI=1S/C19H24N4/c1-13(2)10-17-18(20-12-16-8-6-5-7-9-16)23-15(4)11-14(3)21-19(23)22-17/h5-9,11,13,20H,10,12H2,1-4H3
InChIKeyWRUNHDTUHKYAHJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.16
Rot. Bonds5

About N-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine

N-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 53301191) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID53301191
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC NameN-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cc(C)n2c(NCc3ccccc3)c(CC(C)C)nc2n1
InChIInChI=1S/C19H24N4/c1-13(2)10-17-18(20-12-16-8-6-5-7-9-16)23-15(4)11-14(3)21-19(23)22-17/h5-9,11,13,20H,10,12H2,1-4H3
InChIKeyWRUNHDTUHKYAHJ-UHFFFAOYSA-N
XLogP4.16
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine (CID 53301191) is N-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine is Cc1cc(C)n2c(NCc3ccccc3)c(CC(C)C)nc2n1.
What is the InChIKey of N-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is WRUNHDTUHKYAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-13(2)10-17-18(20-12-16-8-6-5-7-9-16)23-15(4)11-14(3)21-19(23)22-17/h5-9,11,13,20H,10,12H2,1-4H3.
What are the key properties of N-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine?
N-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 308.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 53301191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).