[4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine

C11H17F2N3O — CID 114206156

IUPAC[4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine
SMILESCCOC(CC)c1ncc(CN)c(C(F)F)n1
InChIInChI=1S/C11H17F2N3O/c1-3-8(17-4-2)11-15-6-7(5-14)9(16-11)10(12)13/h6,8,10H,3-5,14H2,1-2H3
InChIKeyJHGNSZHQSRMHCM-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.36
Rot. Bonds6

About [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine

[4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine (PubChem CID 114206156) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine
PubChem CID114206156
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name[4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine
SMILESCCOC(CC)c1ncc(CN)c(C(F)F)n1
InChIInChI=1S/C11H17F2N3O/c1-3-8(17-4-2)11-15-6-7(5-14)9(16-11)10(12)13/h6,8,10H,3-5,14H2,1-2H3
InChIKeyJHGNSZHQSRMHCM-UHFFFAOYSA-N
XLogP2.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4,5-Dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 75436307
2-(2-Methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 58228035
5-[4-[(2R)-2-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 58507723
5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 58508005
5-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 58508195
5-[4-(2-Methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 66988596
5-[4-(2,6-Dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 76807791
5-(1,1-difluoroethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine
CID 89929545
Azane;4,5-dimethyl-2-(trifluoromethyl)pyrimidine
CID 118590979
4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-yl-1,4-dihydro-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 121339659
2-(1-Ethoxyvinyl)-4-(fluoromethyl)pyrimidine
CID 121394324
4-(Difluoromethyl)-2-(1-ethoxyvinyl)pyrimidine
CID 121394414

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine (CID 114206156) is [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine is CCOC(CC)c1ncc(CN)c(C(F)F)n1.
What is the InChIKey of [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine?
The InChIKey is JHGNSZHQSRMHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-3-8(17-4-2)11-15-6-7(5-14)9(16-11)10(12)13/h6,8,10H,3-5,14H2,1-2H3.
What are the key properties of [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine?
[4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine has a molecular weight of 245.27 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114206156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).