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

C14H15FN8 — CID 25171661

IUPAC2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
SMILESCc1cc(Nc2cncc(N[C@@H](C)c3ncc(F)cn3)n2)n[nH]1
InChIInChI=1S/C14H15FN8/c1-8-3-11(23-22-8)20-13-7-16-6-12(21-13)19-9(2)14-17-4-10(15)5-18-14/h3-7,9H,1-2H3,(H3,19,20,21,22,23)/t9-/m0/s1
InChIKeyKIMQVFJKYTXAFU-VIFPVBQESA-N
MW314.33 g/mol
LogP2.35
Rot. Bonds5

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

2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine (PubChem CID 25171661) has the molecular formula C14H15FN8 and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
PubChem CID25171661
Molecular FormulaC14H15FN8
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
SMILESCc1cc(Nc2cncc(N[C@@H](C)c3ncc(F)cn3)n2)n[nH]1
InChIInChI=1S/C14H15FN8/c1-8-3-11(23-22-8)20-13-7-16-6-12(21-13)19-9(2)14-17-4-10(15)5-18-14/h3-7,9H,1-2H3,(H3,19,20,21,22,23)/t9-/m0/s1
InChIKeyKIMQVFJKYTXAFU-VIFPVBQESA-N
XLogP2.35
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine (CID 25171661) is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine is Cc1cc(Nc2cncc(N[C@@H](C)c3ncc(F)cn3)n2)n[nH]1.
What is the InChIKey of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
The InChIKey is KIMQVFJKYTXAFU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15FN8/c1-8-3-11(23-22-8)20-13-7-16-6-12(21-13)19-9(2)14-17-4-10(15)5-18-14/h3-7,9H,1-2H3,(H3,19,20,21,22,23)/t9-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine?
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine has a molecular weight of 314.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine is sourced from PubChem (CID 25171661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).