5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine

C7H7ClF3N3 — CID 130949799

IUPAC5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine
SMILESCC(Nc1ncc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C7H7ClF3N3/c1-4(7(9,10)11)14-6-12-2-5(8)3-13-6/h2-4H,1H3,(H,12,13,14)
InChIKeyBSDKFAKZGZCGBF-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.49
Rot. Bonds2

About 5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine

5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine (PubChem CID 130949799) has the molecular formula C7H7ClF3N3 and a molecular weight of 225.60 g/mol. Its IUPAC name is 5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine
PubChem CID130949799
Molecular FormulaC7H7ClF3N3
Molecular Weight225.60 g/mol
Exact Mass225.03
IUPAC Name5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine
SMILESCC(Nc1ncc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C7H7ClF3N3/c1-4(7(9,10)11)14-6-12-2-5(8)3-13-6/h2-4H,1H3,(H,12,13,14)
InChIKeyBSDKFAKZGZCGBF-UHFFFAOYSA-N
XLogP2.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82937690
5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine
CID 133349967
(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol
CID 130617035
5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine
CID 115674175
N-(3,3-difluorobutan-2-yl)-5-iodopyrimidin-2-amine
CID 127006742
5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine
CID 79557732
N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine
CID 115750251
5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 130908908
2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine
CID 130892533
2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol
CID 79557211
6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822093
5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine
CID 130935208

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine (CID 130949799) is 5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine is CC(Nc1ncc(Cl)cn1)C(F)(F)F.
What is the InChIKey of 5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine?
The InChIKey is BSDKFAKZGZCGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3/c1-4(7(9,10)11)14-6-12-2-5(8)3-13-6/h2-4H,1H3,(H,12,13,14).
What are the key properties of 5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine?
5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine has a molecular weight of 225.60 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 130949799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).