4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine

C15H18N4 — CID 1408942

IUPAC4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
SMILESCN1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C15H18N4/c1-18-7-9-19(10-8-18)15-11-14(16-12-17-15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyNRJJRVIMKKANAW-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.90
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine

4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine (PubChem CID 1408942) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
PubChem CID1408942
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
SMILESCN1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C15H18N4/c1-18-7-9-19(10-8-18)15-11-14(16-12-17-15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyNRJJRVIMKKANAW-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine (CID 1408942) is 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine is CN1CCN(c2cc(-c3ccccc3)ncn2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine?
The InChIKey is NRJJRVIMKKANAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-18-7-9-19(10-8-18)15-11-14(16-12-17-15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine?
4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine has a molecular weight of 254.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidine is sourced from PubChem (CID 1408942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).