6-tert-butyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine

C14H21F3N4 — CID 123580378

IUPAC6-tert-butyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine
SMILESCC(N1CC(Nc2cc(C(C)(C)C)ncn2)C1)C(F)(F)F
InChIInChI=1S/C14H21F3N4/c1-9(14(15,16)17)21-6-10(7-21)20-12-5-11(13(2,3)4)18-8-19-12/h5,8-10H,6-7H2,1-4H3,(H,18,19,20)
InChIKeyQANNITXYVGCHSE-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.82
Rot. Bonds3

About 6-tert-butyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine

6-tert-butyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine (PubChem CID 123580378) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 6-tert-butyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine
PubChem CID123580378
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name6-tert-butyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine
SMILESCC(N1CC(Nc2cc(C(C)(C)C)ncn2)C1)C(F)(F)F
InChIInChI=1S/C14H21F3N4/c1-9(14(15,16)17)21-6-10(7-21)20-12-5-11(13(2,3)4)18-8-19-12/h5,8-10H,6-7H2,1-4H3,(H,18,19,20)
InChIKeyQANNITXYVGCHSE-UHFFFAOYSA-N
XLogP2.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-tert-butyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine with MolForge

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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-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine (CID 123580378) is 6-tert-butyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine is CC(N1CC(Nc2cc(C(C)(C)C)ncn2)C1)C(F)(F)F.
What is the InChIKey of 6-tert-butyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine?
The InChIKey is QANNITXYVGCHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-9(14(15,16)17)21-6-10(7-21)20-12-5-11(13(2,3)4)18-8-19-12/h5,8-10H,6-7H2,1-4H3,(H,18,19,20).
What are the key properties of 6-tert-butyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine?
6-tert-butyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 2.82, 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-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 123580378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).