N-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C11H15F3IN3 — CID 66299166

IUPACN-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCNc1nc(CC(F)(F)F)nc(C(C)C)c1I
InChIInChI=1S/C11H15F3IN3/c1-4-16-10-8(15)9(6(2)3)17-7(18-10)5-11(12,13)14/h6H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyFKQWYUGKMPYRJC-UHFFFAOYSA-N
MW373.16 g/mol
LogP3.74
Rot. Bonds4

About N-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

N-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66299166) has the molecular formula C11H15F3IN3 and a molecular weight of 373.16 g/mol. Its IUPAC name is N-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66299166
Molecular FormulaC11H15F3IN3
Molecular Weight373.16 g/mol
Exact Mass373.03
IUPAC NameN-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCNc1nc(CC(F)(F)F)nc(C(C)C)c1I
InChIInChI=1S/C11H15F3IN3/c1-4-16-10-8(15)9(6(2)3)17-7(18-10)5-11(12,13)14/h6H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyFKQWYUGKMPYRJC-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 135260422
4-Amino-2-methyl-6-pentafluoroethyl-5-trifluoromethylpyrimidine
CID 2246209
2,6-Diethyl-5-methylpyrimidin-4-amine
CID 248110
2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56903425
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 164637542
N-ethyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 12458409
6-Tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 67510125
6-Isopropyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 67510991
4,5-Dimethyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 68402326

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66299166) is N-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCNc1nc(CC(F)(F)F)nc(C(C)C)c1I.
What is the InChIKey of N-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is FKQWYUGKMPYRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3IN3/c1-4-16-10-8(15)9(6(2)3)17-7(18-10)5-11(12,13)14/h6H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
N-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 373.16 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66299166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).