4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine

C17H20N4 — CID 97145608

IUPAC4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine
SMILESc1ccc([C@H]2CN(c3cc(C4CC4)ncn3)CCN2)cc1
InChIInChI=1S/C17H20N4/c1-2-4-13(5-3-1)16-11-21(9-8-18-16)17-10-15(14-6-7-14)19-12-20-17/h1-5,10,12,14,16,18H,6-9,11H2/t16-/m1/s1
InChIKeyURZFUKFRJLMGFG-MRXNPFEDSA-N
MW280.37 g/mol
LogP2.50
Rot. Bonds3

About 4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine

4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine (PubChem CID 97145608) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine
PubChem CID97145608
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine
SMILESc1ccc([C@H]2CN(c3cc(C4CC4)ncn3)CCN2)cc1
InChIInChI=1S/C17H20N4/c1-2-4-13(5-3-1)16-11-21(9-8-18-16)17-10-15(14-6-7-14)19-12-20-17/h1-5,10,12,14,16,18H,6-9,11H2/t16-/m1/s1
InChIKeyURZFUKFRJLMGFG-MRXNPFEDSA-N
XLogP2.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine (CID 97145608) is 4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine is c1ccc([C@H]2CN(c3cc(C4CC4)ncn3)CCN2)cc1.
What is the InChIKey of 4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine?
The InChIKey is URZFUKFRJLMGFG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-4-13(5-3-1)16-11-21(9-8-18-16)17-10-15(14-6-7-14)19-12-20-17/h1-5,10,12,14,16,18H,6-9,11H2/t16-/m1/s1.
What are the key properties of 4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine?
4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine has a molecular weight of 280.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 97145608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).