(2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine

C16H20ClN3O — CID 141407430

IUPAC(2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
SMILESC[C@@H]1CCN2CN=C(OCc3ccc(Cl)cc3)C=C2N1C
InChIInChI=1S/C16H20ClN3O/c1-12-7-8-20-11-18-15(9-16(20)19(12)2)21-10-13-3-5-14(17)6-4-13/h3-6,9,12H,7-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeySRDYNHUZCWAWLX-GFCCVEGCSA-N
MW305.81 g/mol
LogP3.09
Rot. Bonds2

About (2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine

(2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine (PubChem CID 141407430) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is (2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine.

Molecular Properties

Compound Name(2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
PubChem CID141407430
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name(2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
SMILESC[C@@H]1CCN2CN=C(OCc3ccc(Cl)cc3)C=C2N1C
InChIInChI=1S/C16H20ClN3O/c1-12-7-8-20-11-18-15(9-16(20)19(12)2)21-10-13-3-5-14(17)6-4-13/h3-6,9,12H,7-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeySRDYNHUZCWAWLX-GFCCVEGCSA-N
XLogP3.09
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine with MolForge

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Related Compounds

(2S)-1,2-dimethyl-8-[(3,4,5-trifluorophenyl)methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
CID 141407429
8-[(3,4-difluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
CID 141409299
3-[(4-chlorophenyl)methoxy]-1-methylpiperidine
CID 59165688
1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol
CID 171062182
1-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpiperidin-4-amine
CID 54976190
(4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
CID 69141542
4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 65125002
2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine
CID 145028932
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 1107302
6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 142496543
3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine
CID 43216589
(4-chlorophenyl)methoxy-trimethylsilane
CID 580476

Frequently Asked Questions

What is the IUPAC name of (2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
The IUPAC name of (2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine (CID 141407430) is (2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine.
What is the SMILES notation for (2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
The canonical SMILES for (2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine is C[C@@H]1CCN2CN=C(OCc3ccc(Cl)cc3)C=C2N1C.
What is the InChIKey of (2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
The InChIKey is SRDYNHUZCWAWLX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-12-7-8-20-11-18-15(9-16(20)19(12)2)21-10-13-3-5-14(17)6-4-13/h3-6,9,12H,7-8,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine?
(2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine has a molecular weight of 305.81 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-[(4-chlorophenyl)methoxy]-1,2-dimethyl-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine is sourced from PubChem (CID 141407430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).