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

C16H23N7 — CID 146079492

IUPAC2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCCc1cc(N2CCN(c3nccc(N(C)C)n3)CC2)ncn1
InChIInChI=1S/C16H23N7/c1-4-13-11-15(19-12-18-13)22-7-9-23(10-8-22)16-17-6-5-14(20-16)21(2)3/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyNKTHYFPXUMRMEH-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.22
Rot. Bonds4

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

2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 146079492) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
PubChem CID146079492
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCCc1cc(N2CCN(c3nccc(N(C)C)n3)CC2)ncn1
InChIInChI=1S/C16H23N7/c1-4-13-11-15(19-12-18-13)22-7-9-23(10-8-22)16-17-6-5-14(20-16)21(2)3/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyNKTHYFPXUMRMEH-UHFFFAOYSA-N
XLogP1.22
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 166601217
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 146128905
N,N-dimethyl-6-[4-(4-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 171323717
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
CID 74231908
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171995725
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
CID 154883523
N,N-dimethyl-2-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 154883399
2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 121204943
N,N-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 126893881
N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
CID 155976248
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (CID 146079492) is 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is CCc1cc(N2CCN(c3nccc(N(C)C)n3)CC2)ncn1.
What is the InChIKey of 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is NKTHYFPXUMRMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-4-13-11-15(19-12-18-13)22-7-9-23(10-8-22)16-17-6-5-14(20-16)21(2)3/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 313.41 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 146079492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).