3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate

C18H26ClN5O2 — CID 54166970

IUPAC3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate
SMILESCNC(=O)OCCCN1CC(C)=C2N(Cc3ccc(Cl)nc3)CCN2C1
InChIInChI=1S/C18H26ClN5O2/c1-14-11-22(6-3-9-26-18(25)20-2)13-24-8-7-23(17(14)24)12-15-4-5-16(19)21-10-15/h4-5,10H,3,6-9,11-13H2,1-2H3,(H,20,25)
InChIKeyOSIIIUQZFYSPIZ-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.10
Rot. Bonds6

About 3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate

3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate (PubChem CID 54166970) has the molecular formula C18H26ClN5O2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate.

Molecular Properties

Compound Name3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate
PubChem CID54166970
Molecular FormulaC18H26ClN5O2
Molecular Weight379.89 g/mol
Exact Mass379.18
IUPAC Name3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate
SMILESCNC(=O)OCCCN1CC(C)=C2N(Cc3ccc(Cl)nc3)CCN2C1
InChIInChI=1S/C18H26ClN5O2/c1-14-11-22(6-3-9-26-18(25)20-2)13-24-8-7-23(17(14)24)12-15-4-5-16(19)21-10-15/h4-5,10H,3,6-9,11-13H2,1-2H3,(H,20,25)
InChIKeyOSIIIUQZFYSPIZ-UHFFFAOYSA-N
XLogP2.10
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-propan-2-ylcarbamate
CID 54464700
1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol
CID 54317367
N-[2-[1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]ethyl]acetamide
CID 54015929
[4-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]cyclohexyl] acetate
CID 54323560
ethanol;ethyl 2-[1,3-bis[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]-2-cyanoacetate
CID 139069540
[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]hydrazine
CID 89371026
2-(6-chloro-3-pyridinyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
CID 86933478
ethyl 4-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133458231
ethyl 2-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]-2-cyanoacetate
CID 3471874
(7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
CID 172825826
3-[6-[(6-chloro-3-pyridinyl)methyl-ethylamino]-1,5-dimethyl-2,4-dihydropyrimidin-3-yl]propan-1-ol
CID 54252664
2-[1,3-bis[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]-2-diethoxyphosphorylacetonitrile
CID 25001984

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate?
The IUPAC name of 3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate (CID 54166970) is 3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate.
What is the SMILES notation for 3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate?
The canonical SMILES for 3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate is CNC(=O)OCCCN1CC(C)=C2N(Cc3ccc(Cl)nc3)CCN2C1.
What is the InChIKey of 3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate?
The InChIKey is OSIIIUQZFYSPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5O2/c1-14-11-22(6-3-9-26-18(25)20-2)13-24-8-7-23(17(14)24)12-15-4-5-16(19)21-10-15/h4-5,10H,3,6-9,11-13H2,1-2H3,(H,20,25).
What are the key properties of 3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate?
3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate has a molecular weight of 379.89 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propyl N-methylcarbamate is sourced from PubChem (CID 54166970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).