4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine

C13H19ClN4O — CID 71846233

IUPAC4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine
SMILESCc1nc(Cl)cc(N2CCN(C3CCOC3)CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-10-15-12(14)8-13(16-10)18-5-3-17(4-6-18)11-2-7-19-9-11/h8,11H,2-7,9H2,1H3
InChIKeyFDDYFNNQHBLABP-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.35
Rot. Bonds2

About 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine

4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine (PubChem CID 71846233) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine
PubChem CID71846233
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine
SMILESCc1nc(Cl)cc(N2CCN(C3CCOC3)CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-10-15-12(14)8-13(16-10)18-5-3-17(4-6-18)11-2-7-19-9-11/h8,11H,2-7,9H2,1H3
InChIKeyFDDYFNNQHBLABP-UHFFFAOYSA-N
XLogP1.35
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-2-methylpyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78918766
2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine
CID 123694030
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine
CID 97004799
6-chloro-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713664
1-(3,5-dichloro-2-pyridinyl)-4-(oxolan-3-yl)-1,4-diazepane
CID 166602989
1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol
CID 135276399
1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-3-methylazetidin-3-ol
CID 135276394
4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133302102
(9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 138543962
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine
CID 139017621
5-(6-chloro-2-methylpyrimidin-4-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121205987

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine (CID 71846233) is 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine is Cc1nc(Cl)cc(N2CCN(C3CCOC3)CC2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine?
The InChIKey is FDDYFNNQHBLABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-10-15-12(14)8-13(16-10)18-5-3-17(4-6-18)11-2-7-19-9-11/h8,11H,2-7,9H2,1H3.
What are the key properties of 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine?
4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine has a molecular weight of 282.77 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 71846233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).