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

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Related Compounds

4-tert-butyl-2-(2-chloroethyl)-6-methylpyrimidine
CID 116893734
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine
CID 96662677
N-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine
CID 54924590
4-tert-butyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103698883
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine
CID 82491124
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744769
(1S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclohex-3-ene-1-carboxamide
CID 95986255
4-[2-(cyclopropylamino)ethyl]-6-methyl-1H-pyrimidin-2-one
CID 82469025
N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 113491544
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine
CID 96671961
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]oxolane-2-carboxamide
CID 91772807
(3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 126452220

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).