2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide

C16H16N8O2 — CID 46185385

IUPAC2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
SMILESC[C@@H](Nc1ncc(C(N)=O)c(Nc2ccc3nccnc3c2)n1)C(N)=O
InChIInChI=1S/C16H16N8O2/c1-8(13(17)25)22-16-21-7-10(14(18)26)15(24-16)23-9-2-3-11-12(6-9)20-5-4-19-11/h2-8H,1H3,(H2,17,25)(H2,18,26)(H2,21,22,23,24)/t8-/m1/s1
InChIKeyKOHFCOOOBIKGDT-MRVPVSSYSA-N
MW352.36 g/mol
LogP0.55
Rot. Bonds6

About 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide

2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide (PubChem CID 46185385) has the molecular formula C16H16N8O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
PubChem CID46185385
Molecular FormulaC16H16N8O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
SMILESC[C@@H](Nc1ncc(C(N)=O)c(Nc2ccc3nccnc3c2)n1)C(N)=O
InChIInChI=1S/C16H16N8O2/c1-8(13(17)25)22-16-21-7-10(14(18)26)15(24-16)23-9-2-3-11-12(6-9)20-5-4-19-11/h2-8H,1H3,(H2,17,25)(H2,18,26)(H2,21,22,23,24)/t8-/m1/s1
InChIKeyKOHFCOOOBIKGDT-MRVPVSSYSA-N
XLogP0.55
TPSA161.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide (CID 46185385) is 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide is C[C@@H](Nc1ncc(C(N)=O)c(Nc2ccc3nccnc3c2)n1)C(N)=O.
What is the InChIKey of 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide?
The InChIKey is KOHFCOOOBIKGDT-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H16N8O2/c1-8(13(17)25)22-16-21-7-10(14(18)26)15(24-16)23-9-2-3-11-12(6-9)20-5-4-19-11/h2-8H,1H3,(H2,17,25)(H2,18,26)(H2,21,22,23,24)/t8-/m1/s1.
What are the key properties of 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide?
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 46185385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).