2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine

C9H11ClF3N3O — CID 86657660

IUPAC2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCC(C)Nc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C9H11ClF3N3O/c1-5(4-17-2)15-7-6(9(11,12)13)3-14-8(10)16-7/h3,5H,4H2,1-2H3,(H,14,15,16)
InChIKeyNLRAVWMHJCATSM-UHFFFAOYSA-N
MW269.65 g/mol
LogP2.60
Rot. Bonds4

About 2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 86657660) has the molecular formula C9H11ClF3N3O and a molecular weight of 269.65 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID86657660
Molecular FormulaC9H11ClF3N3O
Molecular Weight269.65 g/mol
Exact Mass269.05
IUPAC Name2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCC(C)Nc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C9H11ClF3N3O/c1-5(4-17-2)15-7-6(9(11,12)13)3-14-8(10)16-7/h3,5H,4H2,1-2H3,(H,14,15,16)
InChIKeyNLRAVWMHJCATSM-UHFFFAOYSA-N
XLogP2.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine (CID 86657660) is 2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine is COCC(C)Nc1nc(Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is NLRAVWMHJCATSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O/c1-5(4-17-2)15-7-6(9(11,12)13)3-14-8(10)16-7/h3,5H,4H2,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 269.65 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 86657660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).