2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride

C27H28ClF3N6O — CID 23000389

IUPAC2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride
SMILESCC(CNc1ncc(-c2cccc(C(F)(F)F)c2)c(-c2ccncc2)n1)c1ccccc1.Cl.NCC(N)=O
InChIInChI=1S/C25H21F3N4.C2H6N2O.ClH/c1-17(18-6-3-2-4-7-18)15-30-24-31-16-22(23(32-24)19-10-12-29-13-11-19)20-8-5-9-21(14-20)25(26,27)28;3-1-2(4)5;/h2-14,16-17H,15H2,1H3,(H,30,31,32);1,3H2,(H2,4,5);1H
InChIKeyYEGCVICCAQMLEH-UHFFFAOYSA-N
MW545.01 g/mol
LogP5.29
Rot. Bonds7

About 2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride

2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride (PubChem CID 23000389) has the molecular formula C27H28ClF3N6O and a molecular weight of 545.01 g/mol. Its IUPAC name is 2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride
PubChem CID23000389
Molecular FormulaC27H28ClF3N6O
Molecular Weight545.01 g/mol
Exact Mass544.20
IUPAC Name2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride
SMILESCC(CNc1ncc(-c2cccc(C(F)(F)F)c2)c(-c2ccncc2)n1)c1ccccc1.Cl.NCC(N)=O
InChIInChI=1S/C25H21F3N4.C2H6N2O.ClH/c1-17(18-6-3-2-4-7-18)15-30-24-31-16-22(23(32-24)19-10-12-29-13-11-19)20-8-5-9-21(14-20)25(26,27)28;3-1-2(4)5;/h2-14,16-17H,15H2,1H3,(H,30,31,32);1,3H2,(H2,4,5);1H
InChIKeyYEGCVICCAQMLEH-UHFFFAOYSA-N
XLogP5.29
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.01
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)-N'-[4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]propane-1,3-diamine;hydrochloride
CID 70023989
(2S)-1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine
CID 70023723
1-phenyl-N'-[5-(3-propan-2-ylphenyl)-4-pyridin-4-yl-2-pyridinyl]propane-1,3-diamine;1-phenyl-N'-[4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propane-1,3-diamine
CID 70282372
2-[(3-amino-2,2-dimethyl-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one;hydrochloride
CID 18768028
1-N-[5-(4-chlorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine;hydrochloride
CID 23000452
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CID 8912081
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CID 12051168
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[2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea
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CID 114789270
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride?
The IUPAC name of 2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride (CID 23000389) is 2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride is CC(CNc1ncc(-c2cccc(C(F)(F)F)c2)c(-c2ccncc2)n1)c1ccccc1.Cl.NCC(N)=O.
What is the InChIKey of 2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride?
The InChIKey is YEGCVICCAQMLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4.C2H6N2O.ClH/c1-17(18-6-3-2-4-7-18)15-30-24-31-16-22(23(32-24)19-10-12-29-13-11-19)20-8-5-9-21(14-20)25(26,27)28;3-1-2(4)5;/h2-14,16-17H,15H2,1H3,(H,30,31,32);1,3H2,(H2,4,5);1H.
What are the key properties of 2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride?
2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride has a molecular weight of 545.01 g/mol, XLogP of 5.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 23000389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).