5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine

C24H27F2N3O4 — CID 164908203

IUPAC5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(OCCC(F)F)c(OC)n2)cc1
InChIInChI=1S/C24H27F2N3O4/c1-30-19-8-4-17(5-9-19)15-29(16-18-6-10-20(31-2)11-7-18)24-27-14-21(23(28-24)32-3)33-13-12-22(25)26/h4-11,14,22H,12-13,15-16H2,1-3H3
InChIKeyLOCPYALIEFYOQH-UHFFFAOYSA-N
MW459.49 g/mol
LogP4.74
Rot. Bonds12

About 5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine

5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 164908203) has the molecular formula C24H27F2N3O4 and a molecular weight of 459.49 g/mol. Its IUPAC name is 5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID164908203
Molecular FormulaC24H27F2N3O4
Molecular Weight459.49 g/mol
Exact Mass459.20
IUPAC Name5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(OCCC(F)F)c(OC)n2)cc1
InChIInChI=1S/C24H27F2N3O4/c1-30-19-8-4-17(5-9-19)15-29(16-18-6-10-20(31-2)11-7-18)24-27-14-21(23(28-24)32-3)33-13-12-22(25)26/h4-11,14,22H,12-13,15-16H2,1-3H3
InChIKeyLOCPYALIEFYOQH-UHFFFAOYSA-N
XLogP4.74
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 164908191
4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine
CID 164907972
4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 177249845
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195
6-chloro-5-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 170733731
1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
CID 67294293
4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 134264948
N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
CID 164908272
N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine
CID 106998746
5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine
CID 164908037
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 133424069

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine (CID 164908203) is 5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(OCCC(F)F)c(OC)n2)cc1.
What is the InChIKey of 5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is LOCPYALIEFYOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O4/c1-30-19-8-4-17(5-9-19)15-29(16-18-6-10-20(31-2)11-7-18)24-27-14-21(23(28-24)32-3)33-13-12-22(25)26/h4-11,14,22H,12-13,15-16H2,1-3H3.
What are the key properties of 5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 459.49 g/mol, XLogP of 4.74, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 164908203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).