N-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine

C8H11ClFN3 — CID 22121226

IUPACN-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine
SMILESCC(C)(C)Nc1nc(Cl)ncc1F
InChIInChI=1S/C8H11ClFN3/c1-8(2,3)13-6-5(10)4-11-7(9)12-6/h4H,1-3H3,(H,11,12,13)
InChIKeyZIKDTRNHWOQPHE-UHFFFAOYSA-N
MW203.65 g/mol
LogP2.48
Rot. Bonds1

About N-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine

N-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine (PubChem CID 22121226) has the molecular formula C8H11ClFN3 and a molecular weight of 203.65 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine
PubChem CID22121226
Molecular FormulaC8H11ClFN3
Molecular Weight203.65 g/mol
Exact Mass203.06
IUPAC NameN-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine
SMILESCC(C)(C)Nc1nc(Cl)ncc1F
InChIInChI=1S/C8H11ClFN3/c1-8(2,3)13-6-5(10)4-11-7(9)12-6/h4H,1-3H3,(H,11,12,13)
InChIKeyZIKDTRNHWOQPHE-UHFFFAOYSA-N
XLogP2.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.65
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
2-Chloro-5-fluoropyrimidin-4-amine
CID 254372
2-Chloro-5-methylpyrimidin-4-amine
CID 4302175
2-Amino-5-fluoropyrimidine
CID 15209694
4-Amino-5-fluoro-2-methoxypyrimidine
CID 44630535
N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine
CID 1714312
5-Fluoropyrimidine-2,4-diamine
CID 255608
5-Fluoropyrimidin-4-amine
CID 3478696
2-Chloro-N-ethylpyrimidin-4-amine
CID 23027192
5-Fluoro-2-methylpyrimidin-4-amine
CID 23381199

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine (CID 22121226) is N-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine is CC(C)(C)Nc1nc(Cl)ncc1F.
What is the InChIKey of N-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine?
The InChIKey is ZIKDTRNHWOQPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFN3/c1-8(2,3)13-6-5(10)4-11-7(9)12-6/h4H,1-3H3,(H,11,12,13).
What are the key properties of N-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine?
N-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine has a molecular weight of 203.65 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 22121226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).