5-methyl-2-phenyl-4-propan-2-ylpyrimidine

C14H16N2 — CID 177268699

IUPAC5-methyl-2-phenyl-4-propan-2-ylpyrimidine
SMILESCc1cnc(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C14H16N2/c1-10(2)13-11(3)9-15-14(16-13)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyLKZQRFYUTCZXQR-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.58
Rot. Bonds2

About 5-methyl-2-phenyl-4-propan-2-ylpyrimidine

5-methyl-2-phenyl-4-propan-2-ylpyrimidine (PubChem CID 177268699) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-propan-2-ylpyrimidine
PubChem CID177268699
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name5-methyl-2-phenyl-4-propan-2-ylpyrimidine
SMILESCc1cnc(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C14H16N2/c1-10(2)13-11(3)9-15-14(16-13)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyLKZQRFYUTCZXQR-UHFFFAOYSA-N
XLogP3.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
CID 117212070
4-ethyl-5-methyl-2-phenylpyrimidine
CID 150383613
2,5-dimethyl-4-propan-2-ylpyrimidine
CID 58806234
4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
5-bromo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66299701
6,8-dimethyl-2-phenylquinazoline
CID 132546022
5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66300126
1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol
CID 59517616
4,5,6-trimethyl-2-phenylpyrimidine
CID 21336303
7-methyl-2-phenylquinazoline
CID 102363369
3,4,5-trimethyl-2-phenylpyridine
CID 59359504
2-phenylquinazoline
CID 158733567

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-propan-2-ylpyrimidine?
The IUPAC name of 5-methyl-2-phenyl-4-propan-2-ylpyrimidine (CID 177268699) is 5-methyl-2-phenyl-4-propan-2-ylpyrimidine.
What is the SMILES notation for 5-methyl-2-phenyl-4-propan-2-ylpyrimidine?
The canonical SMILES for 5-methyl-2-phenyl-4-propan-2-ylpyrimidine is Cc1cnc(-c2ccccc2)nc1C(C)C.
What is the InChIKey of 5-methyl-2-phenyl-4-propan-2-ylpyrimidine?
The InChIKey is LKZQRFYUTCZXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10(2)13-11(3)9-15-14(16-13)12-7-5-4-6-8-12/h4-10H,1-3H3.
What are the key properties of 5-methyl-2-phenyl-4-propan-2-ylpyrimidine?
5-methyl-2-phenyl-4-propan-2-ylpyrimidine has a molecular weight of 212.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-propan-2-ylpyrimidine is sourced from PubChem (CID 177268699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).