4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine

C18H25N7 — CID 146074375

IUPAC4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(N2CCN(c3cc(C4CCC4)ncn3)CC2)n1
InChIInChI=1S/C18H25N7/c1-2-19-18-20-7-6-16(23-18)24-8-10-25(11-9-24)17-12-15(21-13-22-17)14-4-3-5-14/h6-7,12-14H,2-5,8-11H2,1H3,(H,19,20,23)
InChIKeyPXZJJEBFJLYIFL-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.29
Rot. Bonds5

About 4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine

4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine (PubChem CID 146074375) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
PubChem CID146074375
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(N2CCN(c3cc(C4CCC4)ncn3)CC2)n1
InChIInChI=1S/C18H25N7/c1-2-19-18-20-7-6-16(23-18)24-8-10-25(11-9-24)17-12-15(21-13-22-17)14-4-3-5-14/h6-7,12-14H,2-5,8-11H2,1H3,(H,19,20,23)
InChIKeyPXZJJEBFJLYIFL-UHFFFAOYSA-N
XLogP2.29
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol
CID 163351033
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylpyrimidin-2-amine
CID 80830977
N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80754129
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
CID 166601436
N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine
CID 80766699
N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine
CID 80851519
2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82692303
4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine
CID 166602994
4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155941962

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine?
The IUPAC name of 4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine (CID 146074375) is 4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine is CCNc1nccc(N2CCN(c3cc(C4CCC4)ncn3)CC2)n1.
What is the InChIKey of 4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine?
The InChIKey is PXZJJEBFJLYIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-2-19-18-20-7-6-16(23-18)24-8-10-25(11-9-24)17-12-15(21-13-22-17)14-4-3-5-14/h6-7,12-14H,2-5,8-11H2,1H3,(H,19,20,23).
What are the key properties of 4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine?
4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine has a molecular weight of 339.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 146074375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).