N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine

C14H23N3 — CID 96660657

IUPACN-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine
SMILESCc1cc(C(C)(C)C)nc(CCNC2CC2)n1
InChIInChI=1S/C14H23N3/c1-10-9-12(14(2,3)4)17-13(16-10)7-8-15-11-5-6-11/h9,11,15H,5-8H2,1-4H3
InChIKeyTVLDGQRDFCQHSH-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.38
Rot. Bonds4

About N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine

N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine (PubChem CID 96660657) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine
PubChem CID96660657
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine
SMILESCc1cc(C(C)(C)C)nc(CCNC2CC2)n1
InChIInChI=1S/C14H23N3/c1-10-9-12(14(2,3)4)17-13(16-10)7-8-15-11-5-6-11/h9,11,15H,5-8H2,1-4H3
InChIKeyTVLDGQRDFCQHSH-UHFFFAOYSA-N
XLogP2.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine (CID 96660657) is N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine is Cc1cc(C(C)(C)C)nc(CCNC2CC2)n1.
What is the InChIKey of N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine?
The InChIKey is TVLDGQRDFCQHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10-9-12(14(2,3)4)17-13(16-10)7-8-15-11-5-6-11/h9,11,15H,5-8H2,1-4H3.
What are the key properties of N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine?
N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine has a molecular weight of 233.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 96660657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).