2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine

C14H14FN7S — CID 69190563

IUPAC2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine
SMILESCc1cnc(N(c2cncc(N)n2)C(C)c2ncc(F)cn2)s1
InChIInChI=1S/C14H14FN7S/c1-8-3-20-14(23-8)22(12-7-17-6-11(16)21-12)9(2)13-18-4-10(15)5-19-13/h3-7,9H,1-2H3,(H2,16,21)
InChIKeyUVZJMAWZRAJVBD-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.65
Rot. Bonds4

About 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine

2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine (PubChem CID 69190563) has the molecular formula C14H14FN7S and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine
PubChem CID69190563
Molecular FormulaC14H14FN7S
Molecular Weight331.38 g/mol
Exact Mass331.10
IUPAC Name2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine
SMILESCc1cnc(N(c2cncc(N)n2)C(C)c2ncc(F)cn2)s1
InChIInChI=1S/C14H14FN7S/c1-8-3-20-14(23-8)22(12-7-17-6-11(16)21-12)9(2)13-18-4-10(15)5-19-13/h3-7,9H,1-2H3,(H2,16,21)
InChIKeyUVZJMAWZRAJVBD-UHFFFAOYSA-N
XLogP2.65
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-methylthiazol-2-yl)pyrazine-2,6-diamine
CID 25171662
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine
CID 69190565
2-N-[4-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,3-thiazole-2,5-diamine
CID 89121133
5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 146665650
1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 156830632
5-(5-Fluoro-4-piperazin-1-ylpyrimidin-2-yl)-2-methyl-1,3-thiazole
CID 172330691
5-[[3-[(5-Fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 174192840
5-fluoro-N~4~,N~4~-dimethyl-N~2~-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 72940191
2-[4-(2-Chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 79080966
5-Fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80753655
5-fluoro-N-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80754207
N-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80757677

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine (CID 69190563) is 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine is Cc1cnc(N(c2cncc(N)n2)C(C)c2ncc(F)cn2)s1.
What is the InChIKey of 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine?
The InChIKey is UVZJMAWZRAJVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN7S/c1-8-3-20-14(23-8)22(12-7-17-6-11(16)21-12)9(2)13-18-4-10(15)5-19-13/h3-7,9H,1-2H3,(H2,16,21).
What are the key properties of 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine?
2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine has a molecular weight of 331.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine is sourced from PubChem (CID 69190563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).