1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol

C9H13F3N4O — CID 169102762

IUPAC1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-8(2,17)4-15-6-5(9(10,11)12)3-14-7(13)16-6/h3,17H,4H2,1-2H3,(H3,13,14,15,16)
InChIKeyVLMVBAITDZRSQV-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.26
Rot. Bonds3

About 1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol

1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol (PubChem CID 169102762) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
PubChem CID169102762
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-8(2,17)4-15-6-5(9(10,11)12)3-14-7(13)16-6/h3,17H,4H2,1-2H3,(H3,13,14,15,16)
InChIKeyVLMVBAITDZRSQV-UHFFFAOYSA-N
XLogP1.26
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol (CID 169102762) is 1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol is CC(C)(O)CNc1nc(N)ncc1C(F)(F)F.
What is the InChIKey of 1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The InChIKey is VLMVBAITDZRSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-8(2,17)4-15-6-5(9(10,11)12)3-14-7(13)16-6/h3,17H,4H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol has a molecular weight of 250.22 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 169102762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).