2-(4-butylphenyl)pyrimidin-5-amine

C14H17N3 — CID 82288047

IUPAC2-(4-butylphenyl)pyrimidin-5-amine
SMILESCCCCc1ccc(-c2ncc(N)cn2)cc1
InChIInChI=1S/C14H17N3/c1-2-3-4-11-5-7-12(8-6-11)14-16-9-13(15)10-17-14/h5-10H,2-4,15H2,1H3
InChIKeyKVDJWRDUBRGEEV-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.07
Rot. Bonds4

About 2-(4-butylphenyl)pyrimidin-5-amine

2-(4-butylphenyl)pyrimidin-5-amine (PubChem CID 82288047) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(4-butylphenyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(4-butylphenyl)pyrimidin-5-amine
PubChem CID82288047
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-(4-butylphenyl)pyrimidin-5-amine
SMILESCCCCc1ccc(-c2ncc(N)cn2)cc1
InChIInChI=1S/C14H17N3/c1-2-3-4-11-5-7-12(8-6-11)14-16-9-13(15)10-17-14/h5-10H,2-4,15H2,1H3
InChIKeyKVDJWRDUBRGEEV-UHFFFAOYSA-N
XLogP3.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
2-(4-butylphenyl)-5-propylpyrimidine
CID 611185
2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine
CID 20625407
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
5-heptyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyrimidine
CID 19992784

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)pyrimidin-5-amine?
The IUPAC name of 2-(4-butylphenyl)pyrimidin-5-amine (CID 82288047) is 2-(4-butylphenyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(4-butylphenyl)pyrimidin-5-amine?
The canonical SMILES for 2-(4-butylphenyl)pyrimidin-5-amine is CCCCc1ccc(-c2ncc(N)cn2)cc1.
What is the InChIKey of 2-(4-butylphenyl)pyrimidin-5-amine?
The InChIKey is KVDJWRDUBRGEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-3-4-11-5-7-12(8-6-11)14-16-9-13(15)10-17-14/h5-10H,2-4,15H2,1H3.
What are the key properties of 2-(4-butylphenyl)pyrimidin-5-amine?
2-(4-butylphenyl)pyrimidin-5-amine has a molecular weight of 227.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)pyrimidin-5-amine is sourced from PubChem (CID 82288047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).