5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine

C14H22N2 — CID 168764743

IUPAC5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine
SMILESCC(C)c1ncnc(C2CC2)c1C(C)(C)C
InChIInChI=1S/C14H22N2/c1-9(2)12-11(14(3,4)5)13(10-6-7-10)16-8-15-12/h8-10H,6-7H2,1-5H3
InChIKeyGIESIDITIYMXMV-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.77
Rot. Bonds2

About 5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine

5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine (PubChem CID 168764743) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine
PubChem CID168764743
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine
SMILESCC(C)c1ncnc(C2CC2)c1C(C)(C)C
InChIInChI=1S/C14H22N2/c1-9(2)12-11(14(3,4)5)13(10-6-7-10)16-8-15-12/h8-10H,6-7H2,1-5H3
InChIKeyGIESIDITIYMXMV-UHFFFAOYSA-N
XLogP3.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-
CID 78154
4-(3,3-Dimethylbutyl)-5-methylpyrimidin-2-amine
CID 122516777
2-Methyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine
CID 12450612
5-Ethyl-4,6-dimethylpyrimidine
CID 18735156
5-Bromo-4-cyclopropyl-6-methyl-pyrimidine
CID 101043834
(4-Cyclopropyl-6-methyl-pyrimidin-5-yl)boronic acid
CID 123558863
6-tert-Butyl-5,6,7,8-tetrahydroquinazoline
CID 12450591
5,6,7,8,9,10,11,12,13,14-Decahydrocyclododeca[d]pyrimidin-2-amine
CID 12450611
Pyrimidine, 4,6-dimethyl-2-methylamino-5-propyl-
CID 171383853
2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 15122254
N-methyl-5,6-di(propan-2-yl)pyrimidin-4-amine
CID 65440079
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-fluoromethylpyrimidine
CID 22097429

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine?
The IUPAC name of 5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine (CID 168764743) is 5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine is CC(C)c1ncnc(C2CC2)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine?
The InChIKey is GIESIDITIYMXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-9(2)12-11(14(3,4)5)13(10-6-7-10)16-8-15-12/h8-10H,6-7H2,1-5H3.
What are the key properties of 5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine?
5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine has a molecular weight of 218.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-cyclopropyl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 168764743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).