N-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine

C14H23F3N4 — CID 62281783

IUPACN-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
SMILESCCNCc1nc(C(C)C)ncc1N(CC)CC(F)(F)F
InChIInChI=1S/C14H23F3N4/c1-5-18-7-11-12(8-19-13(20-11)10(3)4)21(6-2)9-14(15,16)17/h8,10,18H,5-7,9H2,1-4H3
InChIKeyCGPHRXXXGWPOLE-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.10
Rot. Bonds7

About N-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine

N-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine (PubChem CID 62281783) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
PubChem CID62281783
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC NameN-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
SMILESCCNCc1nc(C(C)C)ncc1N(CC)CC(F)(F)F
InChIInChI=1S/C14H23F3N4/c1-5-18-7-11-12(8-19-13(20-11)10(3)4)21(6-2)9-14(15,16)17/h8,10,18H,5-7,9H2,1-4H3
InChIKeyCGPHRXXXGWPOLE-UHFFFAOYSA-N
XLogP3.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
5-Amino-4-methylpyrimidine
CID 227541
6-[2-(trifluoromethyl)pyrimidin-4-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817545
2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 117817569
1-[4-(Trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane
CID 2782067
N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
2,4-Dimethylpyrimidin-5-amine
CID 13981970
(4-(Difluoromethyl)pyrimidin-2-yl)methanamine hydrochloride
CID 119031436
2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine dihydrochloride
CID 138040796
N1-(4-(Trifluoromethyl)pyrimidin-2-yl)ethane-1,2-diamine
CID 2777800
N,N-dimethyl-4-((methylamino)methyl)pyrimidin-2-amine
CID 62749331
4-(Trifluoromethyl)-2-pyrimidineethanamine
CID 63317603

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The IUPAC name of N-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine (CID 62281783) is N-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine.
What is the SMILES notation for N-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The canonical SMILES for N-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine is CCNCc1nc(C(C)C)ncc1N(CC)CC(F)(F)F.
What is the InChIKey of N-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The InChIKey is CGPHRXXXGWPOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-5-18-7-11-12(8-19-13(20-11)10(3)4)21(6-2)9-14(15,16)17/h8,10,18H,5-7,9H2,1-4H3.
What are the key properties of N-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
N-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine has a molecular weight of 304.36 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(ethylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine is sourced from PubChem (CID 62281783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).