propane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine

C17H32N2 — CID 142360935

IUPACpropane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine
SMILESCCC.CCCc1cnc(C(C)(C)C(C)(C)C)nc1
InChIInChI=1S/C14H24N2.C3H8/c1-7-8-11-9-15-12(16-10-11)14(5,6)13(2,3)4;1-3-2/h9-10H,7-8H2,1-6H3;3H2,1-2H3
InChIKeyYVYMQALKDNXTIL-UHFFFAOYSA-N
MW264.46 g/mol
LogP5.17
Rot. Bonds3

About propane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine

propane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine (PubChem CID 142360935) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is propane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine.

Molecular Properties

Compound Namepropane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine
PubChem CID142360935
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Namepropane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine
SMILESCCC.CCCc1cnc(C(C)(C)C(C)(C)C)nc1
InChIInChI=1S/C14H24N2.C3H8/c1-7-8-11-9-15-12(16-10-11)14(5,6)13(2,3)4;1-3-2/h9-10H,7-8H2,1-6H3;3H2,1-2H3
InChIKeyYVYMQALKDNXTIL-UHFFFAOYSA-N
XLogP5.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(chloromethyl)-5-propylpyrimidine
CID 55263788
5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
(2-tert-butylpyrimidin-5-yl)methanethiol
CID 155186184
N-butyl-N,5-dipropylpyrimidin-2-amine
CID 71106875
2-(4-methylheptan-4-yl)-5-propylpyridine
CID 91073011
3-(2-tert-butylpyrimidin-5-yl)propan-1-ol
CID 59233535
N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine
CID 62755323
(E)-3-(5-propylpyrimidin-2-yl)prop-2-enoic acid
CID 90475614
N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine
CID 18736096
2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine
CID 131998952
2-methyl-N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine
CID 62755700
5-propyl-2-(trifluoromethyl)pyridine
CID 23544356

Frequently Asked Questions

What is the IUPAC name of propane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine?
The IUPAC name of propane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine (CID 142360935) is propane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine.
What is the SMILES notation for propane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine?
The canonical SMILES for propane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine is CCC.CCCc1cnc(C(C)(C)C(C)(C)C)nc1.
What is the InChIKey of propane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine?
The InChIKey is YVYMQALKDNXTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.C3H8/c1-7-8-11-9-15-12(16-10-11)14(5,6)13(2,3)4;1-3-2/h9-10H,7-8H2,1-6H3;3H2,1-2H3.
What are the key properties of propane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine?
propane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine has a molecular weight of 264.46 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine is sourced from PubChem (CID 142360935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).