5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine

C20H22N4 — CID 14528143

IUPAC5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine
SMILESCCCc1cnc(-c2ccc(-c3ncc(CCC)cn3)cc2)nc1
InChIInChI=1S/C20H22N4/c1-3-5-15-11-21-19(22-12-15)17-7-9-18(10-8-17)20-23-13-16(6-4-2)14-24-20/h7-14H,3-6H2,1-2H3
InChIKeyLMYZKDWFBDCKFU-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.51
Rot. Bonds6

About 5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine

5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine (PubChem CID 14528143) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine
PubChem CID14528143
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine
SMILESCCCc1cnc(-c2ccc(-c3ncc(CCC)cn3)cc2)nc1
InChIInChI=1S/C20H22N4/c1-3-5-15-11-21-19(22-12-15)17-7-9-18(10-8-17)20-23-13-16(6-4-2)14-24-20/h7-14H,3-6H2,1-2H3
InChIKeyLMYZKDWFBDCKFU-UHFFFAOYSA-N
XLogP4.51
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Msx-122
CID 11687907
WZ 811
CID 11565518
5-Phenyl-2,4-pyrimidinediamine
CID 134761
4-(4-Phenylphenyl)pyrimidine
CID 817541
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
6-Ethyl-5-{3-[3-(Pyrimidin-5-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 71737834
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
5-[4-(2-Carbamimidoylpyrimidin-5-yl)phenyl]pyrimidine-2-carboximidamide
CID 24752324
5-[4-(4-Carbamimidoylphenyl)phenyl]pyrimidine-2-carboximidamide
CID 24752326
N*2*-Phenethyl-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393180
5-fluoro-N-[[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine
CID 49857096

Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine?
The IUPAC name of 5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine (CID 14528143) is 5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine.
What is the SMILES notation for 5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine?
The canonical SMILES for 5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine is CCCc1cnc(-c2ccc(-c3ncc(CCC)cn3)cc2)nc1.
What is the InChIKey of 5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine?
The InChIKey is LMYZKDWFBDCKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-5-15-11-21-19(22-12-15)17-7-9-18(10-8-17)20-23-13-16(6-4-2)14-24-20/h7-14H,3-6H2,1-2H3.
What are the key properties of 5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine?
5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine has a molecular weight of 318.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-[4-(5-propylpyrimidin-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 14528143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).