6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C9H12F3N3O — CID 66327556

IUPAC6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCC(C)Oc1cc(NCC(F)(F)F)ncn1
InChIInChI=1S/C9H12F3N3O/c1-6(2)16-8-3-7(14-5-15-8)13-4-9(10,11)12/h3,5-6H,4H2,1-2H3,(H,13,14,15)
InChIKeyDVMSIWRTJTYTMI-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.24
Rot. Bonds4

About 6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66327556) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66327556
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCC(C)Oc1cc(NCC(F)(F)F)ncn1
InChIInChI=1S/C9H12F3N3O/c1-6(2)16-8-3-7(14-5-15-8)13-4-9(10,11)12/h3,5-6H,4H2,1-2H3,(H,13,14,15)
InChIKeyDVMSIWRTJTYTMI-UHFFFAOYSA-N
XLogP2.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-6-methoxypyrimidine
CID 735731
Pyrimidine, 2,4-diamino-6-(2-(dimethylamino)ethoxy)-
CID 202116
Pyrimidine, 2,4-diamino-6-(2-(diethylamino)ethoxy)-
CID 202117
4-Methoxy-6-(piperazin-1-yl)pyrimidine
CID 45789017
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
Pyrimidine, 4-isopropoxy-2-methyl-
CID 21630681
6-(2-Methylpropoxy)pyrimidin-4-amine
CID 68058468
2,6-Di-(sec-butoxy)-4-aminopyrimidine
CID 478123
4-Isobutoxy-2,6-diisobutylamino-pyrimidine
CID 25129161
2-[2-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxyethyl]guanidine;hydrochloride
CID 44577031
2-[3-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxypropyl]guanidine;hydrochloride
CID 44577033
2-[3-[4-[2-(Dimethylamino)ethoxy]-6-(3-propan-2-yloxypropylamino)pyrimidin-2-yl]oxypropyl]guanidine;hydrochloride
CID 44577057

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66327556) is 6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CC(C)Oc1cc(NCC(F)(F)F)ncn1.
What is the InChIKey of 6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is DVMSIWRTJTYTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-6(2)16-8-3-7(14-5-15-8)13-4-9(10,11)12/h3,5-6H,4H2,1-2H3,(H,13,14,15).
What are the key properties of 6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 235.21 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66327556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).