N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine

C18H31N3 — CID 65419797

IUPACN-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(C2CC2C)nc(C)c1CC(C)CNC(C)(C)C
InChIInChI=1S/C18H31N3/c1-11(10-19-18(5,6)7)8-16-13(3)20-17(21-14(16)4)15-9-12(15)2/h11-12,15,19H,8-10H2,1-7H3
InChIKeyGGZZELODVXETJC-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.78
Rot. Bonds5

About N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine

N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine (PubChem CID 65419797) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine
PubChem CID65419797
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(C2CC2C)nc(C)c1CC(C)CNC(C)(C)C
InChIInChI=1S/C18H31N3/c1-11(10-19-18(5,6)7)8-16-13(3)20-17(21-14(16)4)15-9-12(15)2/h11-12,15,19H,8-10H2,1-7H3
InChIKeyGGZZELODVXETJC-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine (CID 65419797) is N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine is Cc1nc(C2CC2C)nc(C)c1CC(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The InChIKey is GGZZELODVXETJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-11(10-19-18(5,6)7)8-16-13(3)20-17(21-14(16)4)15-9-12(15)2/h11-12,15,19H,8-10H2,1-7H3.
What are the key properties of N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 65419797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).