6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen

C13H21F3N4 — CID 144655725

IUPAC6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen
SMILESCC(C)(C)c1cc(NC2CN(CC(F)(F)F)C2)ncn1.[H][H]
InChIInChI=1S/C13H19F3N4.H2/c1-12(2,3)10-4-11(18-8-17-10)19-9-5-20(6-9)7-13(14,15)16;/h4,8-9H,5-7H2,1-3H3,(H,17,18,19);1H
InChIKeyWJUWYTKRURTESV-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.68
Rot. Bonds3

About 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen

6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen (PubChem CID 144655725) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Name6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen
PubChem CID144655725
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen
SMILESCC(C)(C)c1cc(NC2CN(CC(F)(F)F)C2)ncn1.[H][H]
InChIInChI=1S/C13H19F3N4.H2/c1-12(2,3)10-4-11(18-8-17-10)19-9-5-20(6-9)7-13(14,15)16;/h4,8-9H,5-7H2,1-3H3,(H,17,18,19);1H
InChIKeyWJUWYTKRURTESV-UHFFFAOYSA-N
XLogP2.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Jnj-39758979
CID 24994634
4-Amino-6-(tert-butyl)pyrimidine
CID 713744
4-t-Butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine
CID 24797775
4-(3-Amino-azetidin-1-yl)-6-cyclopentyl-pyrimidin-2-ylamine
CID 24797956
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635
4-Tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 25128826
4-Ethyl-6-[3-(methylamino)-1-azetidinyl]-2-pyrimidinamine
CID 42623567
4-Isopropyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623731
4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624150
4-[(3R)-3-aminopyrrolidin-1-yl]-6-tert-butylpyrimidin-2-amine
CID 53378711
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 53378928
4-(3-Amino-1-azetidinyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 59777245

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen?
The IUPAC name of 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen (CID 144655725) is 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen.
What is the SMILES notation for 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen?
The canonical SMILES for 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen is CC(C)(C)c1cc(NC2CN(CC(F)(F)F)C2)ncn1.[H][H].
What is the InChIKey of 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen?
The InChIKey is WJUWYTKRURTESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4.H2/c1-12(2,3)10-4-11(18-8-17-10)19-9-5-20(6-9)7-13(14,15)16;/h4,8-9H,5-7H2,1-3H3,(H,17,18,19);1H.
What are the key properties of 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen?
6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen has a molecular weight of 290.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 144655725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).