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

C18H33N3 — CID 65293875

IUPACN-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(CC(C)C)nc(C)c1CC(C)CNC(C)(C)C
InChIInChI=1S/C18H33N3/c1-12(2)9-17-20-14(4)16(15(5)21-17)10-13(3)11-19-18(6,7)8/h12-13,19H,9-11H2,1-8H3
InChIKeyOPNRHLUXIYWXEC-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.86
Rot. Bonds6

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

N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine (PubChem CID 65293875) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine
PubChem CID65293875
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(CC(C)C)nc(C)c1CC(C)CNC(C)(C)C
InChIInChI=1S/C18H33N3/c1-12(2)9-17-20-14(4)16(15(5)21-17)10-13(3)11-19-18(6,7)8/h12-13,19H,9-11H2,1-8H3
InChIKeyOPNRHLUXIYWXEC-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.86
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-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine (CID 65293875) is N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine is Cc1nc(CC(C)C)nc(C)c1CC(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The InChIKey is OPNRHLUXIYWXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-12(2)9-17-20-14(4)16(15(5)21-17)10-13(3)11-19-18(6,7)8/h12-13,19H,9-11H2,1-8H3.
What are the key properties of N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
N-tert-butyl-3-[4,6-dimethyl-2-(2-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 3.86, 6 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-methylpropyl)pyrimidin-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 65293875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).