1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine

C19H35F3N4O — CID 171493692

IUPAC1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC.CC(=O)CN.CCCN(CCC(C)CC)c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C14H22F3N3.C3H7NO.C2H6/c1-4-7-20(8-6-11(3)5-2)13-18-9-12(10-19-13)14(15,16)17;1-3(5)2-4;1-2/h9-11H,4-8H2,1-3H3;2,4H2,1H3;1-2H3
InChIKeyGOIFTUYGEYNHML-UHFFFAOYSA-N
MW392.51 g/mol
LogP4.71
Rot. Bonds8

About 1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine

1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 171493692) has the molecular formula C19H35F3N4O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID171493692
Molecular FormulaC19H35F3N4O
Molecular Weight392.51 g/mol
Exact Mass392.28
IUPAC Name1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC.CC(=O)CN.CCCN(CCC(C)CC)c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C14H22F3N3.C3H7NO.C2H6/c1-4-7-20(8-6-11(3)5-2)13-18-9-12(10-19-13)14(15,16)17;1-3(5)2-4;1-2/h9-11H,4-8H2,1-3H3;2,4H2,1H3;1-2H3
InChIKeyGOIFTUYGEYNHML-UHFFFAOYSA-N
XLogP4.71
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone
CID 70906617
5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine
CID 113388464
tert-butyl N-methyl-N-[1-[methyl-[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]carbamate
CID 131985680
tert-butyl acetate;1-[4-[difluoro(phosphanyl)methyl]phenyl]-5-methyl-N-(3-methylpentyl)-N-propylpyrazol-3-amine
CID 176922074
(E)-3-[2-(dipropylamino)pyrimidin-5-yl]prop-2-enoic acid
CID 113388399
N-heptan-4-yl-5-(trifluoromethyl)pyrimidin-2-amine
CID 171565519
N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide
CID 109263866
N-(2-amino-2-sulfanylideneethyl)-N-propyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908478
2-methyl-3-[N-propyl-4-(trifluoromethyl)anilino]propanoic acid
CID 82317921
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312928
3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine
CID 145355662
2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 60839687

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine (CID 171493692) is 1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine is CC.CC(=O)CN.CCCN(CCC(C)CC)c1ncc(C(F)(F)F)cn1.
What is the InChIKey of 1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GOIFTUYGEYNHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3.C3H7NO.C2H6/c1-4-7-20(8-6-11(3)5-2)13-18-9-12(10-19-13)14(15,16)17;1-3(5)2-4;1-2/h9-11H,4-8H2,1-3H3;2,4H2,1H3;1-2H3.
What are the key properties of 1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine?
1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 392.51 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-one;ethane;N-(3-methylpentyl)-N-propyl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 171493692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).