methyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate

C19H26FN5O3 — CID 135390521

IUPACmethyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate
SMILESCOC(=O)Nc1nccc(-c2ccc(OCC(C)(N)CC(C)C)c(CF)n2)n1
InChIInChI=1S/C19H26FN5O3/c1-12(2)9-19(3,21)11-28-16-6-5-13(23-15(16)10-20)14-7-8-22-17(24-14)25-18(26)27-4/h5-8,12H,9-11,21H2,1-4H3,(H,22,24,25,26)
InChIKeyOIXMDUVCOSGJOR-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.33
Rot. Bonds8

About methyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate

methyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate (PubChem CID 135390521) has the molecular formula C19H26FN5O3 and a molecular weight of 391.45 g/mol. Its IUPAC name is methyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate
PubChem CID135390521
Molecular FormulaC19H26FN5O3
Molecular Weight391.45 g/mol
Exact Mass391.20
IUPAC Namemethyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate
SMILESCOC(=O)Nc1nccc(-c2ccc(OCC(C)(N)CC(C)C)c(CF)n2)n1
InChIInChI=1S/C19H26FN5O3/c1-12(2)9-19(3,21)11-28-16-6-5-13(23-15(16)10-20)14-7-8-22-17(24-14)25-18(26)27-4/h5-8,12H,9-11,21H2,1-4H3,(H,22,24,25,26)
InChIKeyOIXMDUVCOSGJOR-UHFFFAOYSA-N
XLogP3.33
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-chlorophenyl]pyrimidin-2-yl]carbamate;methyl N-[4-[3-chloro-4-[(2S)-2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]phenyl]pyrimidin-2-yl]carbamate
CID 160961778
[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbamic acid
CID 135282057
methyl N-[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-4-(difluoromethyl)-2-pyridinyl]-2-pyridinyl]carbamate
CID 118429774
[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]pyrimidin-2-yl] carbamate
CID 175073261
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(difluoromethyl)phenyl]-2-pyridinyl]acetamide
CID 118419714
[4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
CID 118420194
methyl N-[4-[6-(2-amino-2,4-dimethylpentoxy)-5-(difluoromethyl)-3-pyridinyl]-2-pyridinyl]carbamate
CID 123510763
methyl N-[4-[6-[(2R)-2-amino-2,4-dimethylpentoxy]-5-(difluoromethyl)-3-pyridinyl]-2-pyridinyl]carbamate
CID 129292479
[1-[[2-(fluoromethyl)-6-[2-(fluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 135282398
methyl N-[4-[4-(2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbamate
CID 146207931
methyl N-[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]pyrimidin-2-yl]-2-pyridinyl]carbamate
CID 118429813
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]pyrimidin-2-yl] N-methylcarbamate
CID 175068485

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate?
The IUPAC name of methyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate (CID 135390521) is methyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate?
The canonical SMILES for methyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate is COC(=O)Nc1nccc(-c2ccc(OCC(C)(N)CC(C)C)c(CF)n2)n1.
What is the InChIKey of methyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate?
The InChIKey is OIXMDUVCOSGJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O3/c1-12(2)9-19(3,21)11-28-16-6-5-13(23-15(16)10-20)14-7-8-22-17(24-14)25-18(26)27-4/h5-8,12H,9-11,21H2,1-4H3,(H,22,24,25,26).
What are the key properties of methyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate?
methyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate has a molecular weight of 391.45 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)-2-pyridinyl]pyrimidin-2-yl]carbamate is sourced from PubChem (CID 135390521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).