4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine

C13H20N4OS — CID 131891424

IUPAC4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCN(C3CCSC3)CC2)n1
InChIInChI=1S/C13H20N4OS/c1-18-12-2-4-14-13(15-12)17-7-5-16(6-8-17)11-3-9-19-10-11/h2,4,11H,3,5-10H2,1H3
InChIKeyDHTZQVNPMAVHQI-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.11
Rot. Bonds3

About 4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine

4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine (PubChem CID 131891424) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine
PubChem CID131891424
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCN(C3CCSC3)CC2)n1
InChIInChI=1S/C13H20N4OS/c1-18-12-2-4-14-13(15-12)17-7-5-16(6-8-17)11-3-9-19-10-11/h2,4,11H,3,5-10H2,1H3
InChIKeyDHTZQVNPMAVHQI-UHFFFAOYSA-N
XLogP1.11
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine
CID 24737031
trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol
CID 167811246
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
CID 66195619
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 146078262
(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 97343887
4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154575576
2-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-4-methoxypyrimidine
CID 99839483
(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95159800
N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 154575618
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
4-methoxy-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133314057

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine (CID 131891424) is 4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine is COc1ccnc(N2CCN(C3CCSC3)CC2)n1.
What is the InChIKey of 4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine?
The InChIKey is DHTZQVNPMAVHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-18-12-2-4-14-13(15-12)17-7-5-16(6-8-17)11-3-9-19-10-11/h2,4,11H,3,5-10H2,1H3.
What are the key properties of 4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine?
4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine has a molecular weight of 280.40 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 131891424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).