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

C14H21ClN4O — CID 138550061

IUPAC4-chloro-2-methyl-6-[3-methyl-4-(3-methyloxetan-3-yl)piperazin-1-yl]pyrimidine
SMILESCc1nc(Cl)cc(N2CCN(C3(C)COC3)C(C)C2)n1
InChIInChI=1S/C14H21ClN4O/c1-10-7-18(13-6-12(15)16-11(2)17-13)4-5-19(10)14(3)8-20-9-14/h6,10H,4-5,7-9H2,1-3H3
InChIKeyIPXWYRKDFWZRET-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.74
Rot. Bonds2

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

4-chloro-2-methyl-6-[3-methyl-4-(3-methyloxetan-3-yl)piperazin-1-yl]pyrimidine (PubChem CID 138550061) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[3-methyl-4-(3-methyloxetan-3-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[3-methyl-4-(3-methyloxetan-3-yl)piperazin-1-yl]pyrimidine
PubChem CID138550061
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name4-chloro-2-methyl-6-[3-methyl-4-(3-methyloxetan-3-yl)piperazin-1-yl]pyrimidine
SMILESCc1nc(Cl)cc(N2CCN(C3(C)COC3)C(C)C2)n1
InChIInChI=1S/C14H21ClN4O/c1-10-7-18(13-6-12(15)16-11(2)17-13)4-5-19(10)14(3)8-20-9-14/h6,10H,4-5,7-9H2,1-3H3
InChIKeyIPXWYRKDFWZRET-UHFFFAOYSA-N
XLogP1.74
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 129367907
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78918766
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
tert-butyl (2R)-4-(6-chloro-2-methylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499251
4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133302102
4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
CID 108773094
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine
CID 62482337
[1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol
CID 121202573
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine
CID 71846233
(3aS,6aS)-2-(6-chloro-2-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129381760

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[3-methyl-4-(3-methyloxetan-3-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-[3-methyl-4-(3-methyloxetan-3-yl)piperazin-1-yl]pyrimidine (CID 138550061) is 4-chloro-2-methyl-6-[3-methyl-4-(3-methyloxetan-3-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-[3-methyl-4-(3-methyloxetan-3-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-[3-methyl-4-(3-methyloxetan-3-yl)piperazin-1-yl]pyrimidine is Cc1nc(Cl)cc(N2CCN(C3(C)COC3)C(C)C2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[3-methyl-4-(3-methyloxetan-3-yl)piperazin-1-yl]pyrimidine?
The InChIKey is IPXWYRKDFWZRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-10-7-18(13-6-12(15)16-11(2)17-13)4-5-19(10)14(3)8-20-9-14/h6,10H,4-5,7-9H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-6-[3-methyl-4-(3-methyloxetan-3-yl)piperazin-1-yl]pyrimidine?
4-chloro-2-methyl-6-[3-methyl-4-(3-methyloxetan-3-yl)piperazin-1-yl]pyrimidine has a molecular weight of 296.80 g/mol, XLogP of 1.74, 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-[3-methyl-4-(3-methyloxetan-3-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 138550061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).