N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine

C10H16FN3 — CID 115750251

IUPACN-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine
SMILESCC(Nc1ncc(F)cn1)C(C)(C)C
InChIInChI=1S/C10H16FN3/c1-7(10(2,3)4)14-9-12-5-8(11)6-13-9/h5-7H,1-4H3,(H,12,13,14)
InChIKeyMBIHNTCCCUINMJ-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.46
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine

N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine (PubChem CID 115750251) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine
PubChem CID115750251
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC NameN-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine
SMILESCC(Nc1ncc(F)cn1)C(C)(C)C
InChIInChI=1S/C10H16FN3/c1-7(10(2,3)4)14-9-12-5-8(11)6-13-9/h5-7H,1-4H3,(H,12,13,14)
InChIKeyMBIHNTCCCUINMJ-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Methylethyl)-2-pyrimidinamine
CID 71169
4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
2-Amino-5-fluoropyrimidine
CID 15209694
Methyl[(pyrimidin-5-yl)methyl]amine
CID 20607229
N-ethyl-5-fluoropyrimidin-2-amine
CID 53385549
1-(5-Fluoropyrimidin-2-yl)ethan-1-amine hydrochloride
CID 53407050
N,N-dimethyl-5-((methylamino)methyl)pyrimidin-2-amine
CID 62756582
(R)-1-(5-Fluoro-pyrimidin-2-yl)-ethylamine hydrochloride
CID 67123856
5-Fluoro-2-(tributylstannyl)pyrimidine
CID 140706407
1-(5-Fluoropyrimidin-2-yl)ethan-1-amine
CID 50994814
(S)-1-(5-Fluoropyrimidin-2-YL)ethanamine
CID 55285341
2-chloro-5-fluoro-N-(propan-2-yl)pyrimidin-4-amine
CID 58336990

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine (CID 115750251) is N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine is CC(Nc1ncc(F)cn1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is MBIHNTCCCUINMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-7(10(2,3)4)14-9-12-5-8(11)6-13-9/h5-7H,1-4H3,(H,12,13,14).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine?
N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 197.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 115750251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).