N-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine

C9H12ClF2N3 — CID 169247529

IUPACN-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(Cl)nc(C(F)F)n1
InChIInChI=1S/C9H12ClF2N3/c1-9(2,3)15-6-4-5(10)13-8(14-6)7(11)12/h4,7H,1-3H3,(H,13,14,15)
InChIKeyXHQMMDUOHSPLEH-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.28
Rot. Bonds2

About N-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine

N-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine (PubChem CID 169247529) has the molecular formula C9H12ClF2N3 and a molecular weight of 235.67 g/mol. Its IUPAC name is N-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine
PubChem CID169247529
Molecular FormulaC9H12ClF2N3
Molecular Weight235.67 g/mol
Exact Mass235.07
IUPAC NameN-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(Cl)nc(C(F)F)n1
InChIInChI=1S/C9H12ClF2N3/c1-9(2,3)15-6-4-5(10)13-8(14-6)7(11)12/h4,7H,1-3H3,(H,13,14,15)
InChIKeyXHQMMDUOHSPLEH-UHFFFAOYSA-N
XLogP3.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine
CID 19428515
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
4-chloro-2-(difluoromethyl)-6-methylpyrimidine
CID 146082559
N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 19428532
N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine
CID 126849068
6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954067
6-chloro-2-propan-2-yl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137332
4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875999
N-(2-bromoprop-2-enyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 106195614
6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80953990
6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80950784
2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine
CID 130569788

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine (CID 169247529) is N-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine is CC(C)(C)Nc1cc(Cl)nc(C(F)F)n1.
What is the InChIKey of N-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine?
The InChIKey is XHQMMDUOHSPLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2N3/c1-9(2,3)15-6-4-5(10)13-8(14-6)7(11)12/h4,7H,1-3H3,(H,13,14,15).
What are the key properties of N-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine?
N-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine has a molecular weight of 235.67 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 169247529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).