4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one

C17H21Cl2N3O2 — CID 155535426

IUPAC4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(C)c1nc([C@H](OC)c2c(Cl)cccc2Cl)c(C)c(=O)[nH]1
InChIInChI=1S/C17H21Cl2N3O2/c1-5-9-22(3)17-20-14(10(2)16(23)21-17)15(24-4)13-11(18)7-6-8-12(13)19/h6-8,15H,5,9H2,1-4H3,(H,20,21,23)/t15-/m1/s1
InChIKeyFBXUEHIPDXLGMJ-OAHLLOKOSA-N
MW370.28 g/mol
LogP3.97
Rot. Bonds6

About 4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one

4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one (PubChem CID 155535426) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
PubChem CID155535426
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(C)c1nc([C@H](OC)c2c(Cl)cccc2Cl)c(C)c(=O)[nH]1
InChIInChI=1S/C17H21Cl2N3O2/c1-5-9-22(3)17-20-14(10(2)16(23)21-17)15(24-4)13-11(18)7-6-8-12(13)19/h6-8,15H,5,9H2,1-4H3,(H,20,21,23)/t15-/m1/s1
InChIKeyFBXUEHIPDXLGMJ-OAHLLOKOSA-N
XLogP3.97
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one (CID 155535426) is 4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one is CCCN(C)c1nc([C@H](OC)c2c(Cl)cccc2Cl)c(C)c(=O)[nH]1.
What is the InChIKey of 4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one?
The InChIKey is FBXUEHIPDXLGMJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c1-5-9-22(3)17-20-14(10(2)16(23)21-17)15(24-4)13-11(18)7-6-8-12(13)19/h6-8,15H,5,9H2,1-4H3,(H,20,21,23)/t15-/m1/s1.
What are the key properties of 4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one?
4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one has a molecular weight of 370.28 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(2,6-dichlorophenyl)-methoxymethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 155535426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).