4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine

C12H20N4OS — CID 86331644

IUPAC4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine
SMILESCCOc1cc(N2CCN[C@H](C)C2)nc(SC)n1
InChIInChI=1S/C12H20N4OS/c1-4-17-11-7-10(14-12(15-11)18-3)16-6-5-13-9(2)8-16/h7,9,13H,4-6,8H2,1-3H3/t9-/m1/s1
InChIKeyUGENQPYGUGLMIZ-SECBINFHSA-N
MW268.39 g/mol
LogP1.40
Rot. Bonds4

About 4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine

4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine (PubChem CID 86331644) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine
PubChem CID86331644
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine
SMILESCCOc1cc(N2CCN[C@H](C)C2)nc(SC)n1
InChIInChI=1S/C12H20N4OS/c1-4-17-11-7-10(14-12(15-11)18-3)16-6-5-13-9(2)8-16/h7,9,13H,4-6,8H2,1-3H3/t9-/m1/s1
InChIKeyUGENQPYGUGLMIZ-SECBINFHSA-N
XLogP1.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine
CID 104977568
4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
CID 66331198
4,6-dimethoxy-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 96913861
2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine
CID 77231452
(3S)-1-(6-bromo-4-chloro-2-pyridinyl)-3-methylpiperazine
CID 178042521
6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80798063
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842971
4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine
CID 42623653
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 94586892
6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80833597
2-(difluoromethyl)-4-[6-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrimidin-4-yl]morpholine
CID 156749594
methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate
CID 104976159

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine?
The IUPAC name of 4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine (CID 86331644) is 4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine is CCOc1cc(N2CCN[C@H](C)C2)nc(SC)n1.
What is the InChIKey of 4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine?
The InChIKey is UGENQPYGUGLMIZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-4-17-11-7-10(14-12(15-11)18-3)16-6-5-13-9(2)8-16/h7,9,13H,4-6,8H2,1-3H3/t9-/m1/s1.
What are the key properties of 4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine?
4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine has a molecular weight of 268.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[(3R)-3-methylpiperazin-1-yl]-2-methylsulfanylpyrimidine is sourced from PubChem (CID 86331644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).