tert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate

C15H24F3N5O2 — CID 169102813

IUPACtert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate
SMILESCC(C)(CNC(=O)OC(C)(C)C)CNc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C15H24F3N5O2/c1-13(2,3)25-12(24)22-8-14(4,5)7-21-10-9(15(16,17)18)6-20-11(19)23-10/h6H,7-8H2,1-5H3,(H,22,24)(H3,19,20,21,23)
InChIKeyOSRRPBKFKWHYQV-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.04
Rot. Bonds5

About tert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate

tert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate (PubChem CID 169102813) has the molecular formula C15H24F3N5O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is tert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate
PubChem CID169102813
Molecular FormulaC15H24F3N5O2
Molecular Weight363.38 g/mol
Exact Mass363.19
IUPAC Nametert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate
SMILESCC(C)(CNC(=O)OC(C)(C)C)CNc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C15H24F3N5O2/c1-13(2,3)25-12(24)22-8-14(4,5)7-21-10-9(15(16,17)18)6-20-11(19)23-10/h6H,7-8H2,1-5H3,(H,22,24)(H3,19,20,21,23)
InChIKeyOSRRPBKFKWHYQV-UHFFFAOYSA-N
XLogP3.04
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[3-[[2-(3,4-dichloroanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]carbamate
CID 21080526
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366556
4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126385
tert-butyl N-[3-[[4-(3-aminopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate
CID 177203955
ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 144752640
tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate
CID 129292881
tert-butyl N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631
tert-butyl N-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169468397
tert-butyl N-[2-[[5-amino-6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]carbamate
CID 39733654
tert-butyl N-[3-[(2-tert-butylpyrimidin-5-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 114276626

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate (CID 169102813) is tert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate is CC(C)(CNC(=O)OC(C)(C)C)CNc1nc(N)ncc1C(F)(F)F.
What is the InChIKey of tert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate?
The InChIKey is OSRRPBKFKWHYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5O2/c1-13(2,3)25-12(24)22-8-14(4,5)7-21-10-9(15(16,17)18)6-20-11(19)23-10/h6H,7-8H2,1-5H3,(H,22,24)(H3,19,20,21,23).
What are the key properties of tert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate?
tert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate has a molecular weight of 363.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 169102813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).