4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine

C16H19ClN2 — CID 63085010

IUPAC4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C(C)(C)c2ccccc2)n1
InChIInChI=1S/C16H19ClN2/c1-4-8-13-11-14(17)19-15(18-13)16(2,3)12-9-6-5-7-10-12/h5-7,9-11H,4,8H2,1-3H3
InChIKeyZACFYBXEOBGNNX-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.41
Rot. Bonds4

About 4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine

4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine (PubChem CID 63085010) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine
PubChem CID63085010
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C(C)(C)c2ccccc2)n1
InChIInChI=1S/C16H19ClN2/c1-4-8-13-11-14(17)19-15(18-13)16(2,3)12-9-6-5-7-10-12/h5-7,9-11H,4,8H2,1-3H3
InChIKeyZACFYBXEOBGNNX-UHFFFAOYSA-N
XLogP4.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine (CID 63085010) is 4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine is CCCc1cc(Cl)nc(C(C)(C)c2ccccc2)n1.
What is the InChIKey of 4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine?
The InChIKey is ZACFYBXEOBGNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-4-8-13-11-14(17)19-15(18-13)16(2,3)12-9-6-5-7-10-12/h5-7,9-11H,4,8H2,1-3H3.
What are the key properties of 4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine?
4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine has a molecular weight of 274.79 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine is sourced from PubChem (CID 63085010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).