4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine

C17H23N5O — CID 99627124

IUPAC4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine
SMILESCCOc1cc(N2CCN([C@H](C)c3ccccn3)CC2)ncn1
InChIInChI=1S/C17H23N5O/c1-3-23-17-12-16(19-13-20-17)22-10-8-21(9-11-22)14(2)15-6-4-5-7-18-15/h4-7,12-14H,3,8-11H2,1-2H3/t14-/m1/s1
InChIKeyINNTTZNZLDJBHM-CQSZACIVSA-N
MW313.41 g/mol
LogP2.15
Rot. Bonds5

About 4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine

4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine (PubChem CID 99627124) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine
PubChem CID99627124
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine
SMILESCCOc1cc(N2CCN([C@H](C)c3ccccn3)CC2)ncn1
InChIInChI=1S/C17H23N5O/c1-3-23-17-12-16(19-13-20-17)22-10-8-21(9-11-22)14(2)15-6-4-5-7-18-15/h4-7,12-14H,3,8-11H2,1-2H3/t14-/m1/s1
InChIKeyINNTTZNZLDJBHM-CQSZACIVSA-N
XLogP2.15
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
CID 133490427
1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454928
4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 146125070
1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454927
1-(3-chloro-4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452672
1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452657
4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 175647933
N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline
CID 110452660
N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 99638683
4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 133464156
2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid
CID 65055730

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine (CID 99627124) is 4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine is CCOc1cc(N2CCN([C@H](C)c3ccccn3)CC2)ncn1.
What is the InChIKey of 4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine?
The InChIKey is INNTTZNZLDJBHM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-23-17-12-16(19-13-20-17)22-10-8-21(9-11-22)14(2)15-6-4-5-7-18-15/h4-7,12-14H,3,8-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine?
4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine has a molecular weight of 313.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 99627124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).