5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine

C26H31F2N3O5 — CID 164908037

IUPAC5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)c2ncc(CC(C)(F)F)c(OC)n2)c(OC)c1
InChIInChI=1S/C26H31F2N3O5/c1-26(27,28)13-19-14-29-25(30-24(19)36-6)31(15-17-7-9-20(32-2)11-22(17)34-4)16-18-8-10-21(33-3)12-23(18)35-5/h7-12,14H,13,15-16H2,1-6H3
InChIKeyHIXBXMWRGNKZGS-UHFFFAOYSA-N
MW503.55 g/mol
LogP4.92
Rot. Bonds12

About 5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine

5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine (PubChem CID 164908037) has the molecular formula C26H31F2N3O5 and a molecular weight of 503.55 g/mol. Its IUPAC name is 5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine
PubChem CID164908037
Molecular FormulaC26H31F2N3O5
Molecular Weight503.55 g/mol
Exact Mass503.22
IUPAC Name5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)c2ncc(CC(C)(F)F)c(OC)n2)c(OC)c1
InChIInChI=1S/C26H31F2N3O5/c1-26(27,28)13-19-14-29-25(30-24(19)36-6)31(15-17-7-9-20(32-2)11-22(17)34-4)16-18-8-10-21(33-3)12-23(18)35-5/h7-12,14H,13,15-16H2,1-6H3
InChIKeyHIXBXMWRGNKZGS-UHFFFAOYSA-N
XLogP4.92
TPSA75.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.55
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine with MolForge

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Related Compounds

N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
CID 164908272
1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
CID 175463366
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine
CID 164907972
5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 164908203
2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 79268622
1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol
CID 172603943
1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine
CID 118869781
5-tert-butylsulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 54449746
2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 94687748

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine (CID 164908037) is 5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2OC)c2ncc(CC(C)(F)F)c(OC)n2)c(OC)c1.
What is the InChIKey of 5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is HIXBXMWRGNKZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N3O5/c1-26(27,28)13-19-14-29-25(30-24(19)36-6)31(15-17-7-9-20(32-2)11-22(17)34-4)16-18-8-10-21(33-3)12-23(18)35-5/h7-12,14H,13,15-16H2,1-6H3.
What are the key properties of 5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine?
5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 503.55 g/mol, XLogP of 4.92, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 164908037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).