2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine

C13H18N2 — CID 71814995

IUPAC2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
SMILESCC(C)N1CCCN=C1c1ccccc1
InChIInChI=1S/C13H18N2/c1-11(2)15-10-6-9-14-13(15)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKeyPWPXHDCZURNVRJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.55
Rot. Bonds2

About 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine

2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine (PubChem CID 71814995) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
PubChem CID71814995
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
SMILESCC(C)N1CCCN=C1c1ccccc1
InChIInChI=1S/C13H18N2/c1-11(2)15-10-6-9-14-13(15)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKeyPWPXHDCZURNVRJ-UHFFFAOYSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine (CID 71814995) is 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine is CC(C)N1CCCN=C1c1ccccc1.
What is the InChIKey of 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The InChIKey is PWPXHDCZURNVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-11(2)15-10-6-9-14-13(15)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3.
What are the key properties of 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine has a molecular weight of 202.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 71814995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).