4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine

C19H24N4 — CID 138029939

IUPAC4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
SMILESc1ccc(CCN2CCN(c3cc(C4CC4)ncn3)CC2)cc1
InChIInChI=1S/C19H24N4/c1-2-4-16(5-3-1)8-9-22-10-12-23(13-11-22)19-14-18(17-6-7-17)20-15-21-19/h1-5,14-15,17H,6-13H2
InChIKeyMKYFBQUEQFCBOI-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.72
Rot. Bonds5

About 4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine

4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine (PubChem CID 138029939) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
PubChem CID138029939
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
SMILESc1ccc(CCN2CCN(c3cc(C4CC4)ncn3)CC2)cc1
InChIInChI=1S/C19H24N4/c1-2-4-16(5-3-1)8-9-22-10-12-23(13-11-22)19-14-18(17-6-7-17)20-15-21-19/h1-5,14-15,17H,6-13H2
InChIKeyMKYFBQUEQFCBOI-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91764195
4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282526
4-(4-methylpyrazol-1-yl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829313
3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122279677
4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 172891247
3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91796859
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 171335725
1-(5-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 171337954
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 136559335
4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155980412
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine (CID 138029939) is 4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine is c1ccc(CCN2CCN(c3cc(C4CC4)ncn3)CC2)cc1.
What is the InChIKey of 4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
The InChIKey is MKYFBQUEQFCBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-2-4-16(5-3-1)8-9-22-10-12-23(13-11-22)19-14-18(17-6-7-17)20-15-21-19/h1-5,14-15,17H,6-13H2.
What are the key properties of 4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine has a molecular weight of 308.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 138029939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).