2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine

C11H19FN4 — CID 104606185

IUPAC2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)Nc1ncc(F)cn1
InChIInChI=1S/C11H19FN4/c1-8(2)10(7-16(3)4)15-11-13-5-9(12)6-14-11/h5-6,8,10H,7H2,1-4H3,(H,13,14,15)
InChIKeyFYLRRSYKJZTRQO-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.61
Rot. Bonds5

About 2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 104606185) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID104606185
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)Nc1ncc(F)cn1
InChIInChI=1S/C11H19FN4/c1-8(2)10(7-16(3)4)15-11-13-5-9(12)6-14-11/h5-6,8,10H,7H2,1-4H3,(H,13,14,15)
InChIKeyFYLRRSYKJZTRQO-UHFFFAOYSA-N
XLogP1.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butylamine
CID 15729927
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
1-(2-Chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine
CID 51138331
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-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72859157
N'-[(3S*,4R*)-1-(5-fluoro-2-pyrimidinyl)-4-isopropyl-3-pyrrolidinyl]-N,N-dimethylsulfamide
CID 72879774
3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72908687
5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72928341
1-(5-Fluoropyrimidin-2-yl)ethan-1-amine
CID 50994814

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 104606185) is 2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(C)C(CN(C)C)Nc1ncc(F)cn1.
What is the InChIKey of 2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is FYLRRSYKJZTRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-8(2)10(7-16(3)4)15-11-13-5-9(12)6-14-11/h5-6,8,10H,7H2,1-4H3,(H,13,14,15).
What are the key properties of 2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 226.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 104606185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).