N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine

C20H20F2N4O — CID 73213576

IUPACN-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCOc1cc(F)c(F)cc1C(C)CNc1cc(-c2ccc(C)nc2)ncn1
InChIInChI=1S/C20H20F2N4O/c1-12(15-6-16(21)17(22)7-19(15)27-3)9-24-20-8-18(25-11-26-20)14-5-4-13(2)23-10-14/h4-8,10-12H,9H2,1-3H3,(H,24,25,26)
InChIKeySMEFJPPECRUMKC-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.35
Rot. Bonds6

About N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine

N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 73213576) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
PubChem CID73213576
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC NameN-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCOc1cc(F)c(F)cc1C(C)CNc1cc(-c2ccc(C)nc2)ncn1
InChIInChI=1S/C20H20F2N4O/c1-12(15-6-16(21)17(22)7-19(15)27-3)9-24-20-8-18(25-11-26-20)14-5-4-13(2)23-10-14/h4-8,10-12H,9H2,1-3H3,(H,24,25,26)
InChIKeySMEFJPPECRUMKC-UHFFFAOYSA-N
XLogP4.35
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
CID 118982548
6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine
CID 73213572
6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane
CID 157078811
3,5-difluoro-N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 157284757
2-[[5-[6-[2-(2-methoxyphenyl)propylamino]pyrimidin-4-yl]-2-pyridinyl]amino]propane-1,3-diol
CID 123881772
5-fluoro-N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 157486204
8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-2-amine;sulfane
CID 161091361
4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
CID 118982553
[8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol
CID 135217314
N-[(2S)-2-(3,3-dimethyl-2H-furo[3,2-b]pyridin-7-yl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine;sulfane
CID 158017312
N-[(2S)-2-[(3S)-3-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl]propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 118982627
N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine
CID 123421438

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine (CID 73213576) is N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine is COc1cc(F)c(F)cc1C(C)CNc1cc(-c2ccc(C)nc2)ncn1.
What is the InChIKey of N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is SMEFJPPECRUMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-12(15-6-16(21)17(22)7-19(15)27-3)9-24-20-8-18(25-11-26-20)14-5-4-13(2)23-10-14/h4-8,10-12H,9H2,1-3H3,(H,24,25,26).
What are the key properties of N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 370.40 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 73213576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).