2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C16H24N6O3 — CID 137157343

IUPAC2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)N1CCNC(=O)[C@H]1CC(=O)N1CCc2c(nc(N)[nH]c2=O)C1
InChIInChI=1S/C16H24N6O3/c1-9(2)22-6-4-18-15(25)12(22)7-13(23)21-5-3-10-11(8-21)19-16(17)20-14(10)24/h9,12H,3-8H2,1-2H3,(H,18,25)(H3,17,19,20,24)/t12-/m1/s1
InChIKeyWYLOHXUGZQSSTF-GFCCVEGCSA-N
MW348.41 g/mol
LogP-1.16
Rot. Bonds3

About 2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 137157343) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID137157343
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)N1CCNC(=O)[C@H]1CC(=O)N1CCc2c(nc(N)[nH]c2=O)C1
InChIInChI=1S/C16H24N6O3/c1-9(2)22-6-4-18-15(25)12(22)7-13(23)21-5-3-10-11(8-21)19-16(17)20-14(10)24/h9,12H,3-8H2,1-2H3,(H,18,25)(H3,17,19,20,24)/t12-/m1/s1
InChIKeyWYLOHXUGZQSSTF-GFCCVEGCSA-N
XLogP-1.16
TPSA124.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 137157343) is 2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC(C)N1CCNC(=O)[C@H]1CC(=O)N1CCc2c(nc(N)[nH]c2=O)C1.
What is the InChIKey of 2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is WYLOHXUGZQSSTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-9(2)22-6-4-18-15(25)12(22)7-13(23)21-5-3-10-11(8-21)19-16(17)20-14(10)24/h9,12H,3-8H2,1-2H3,(H,18,25)(H3,17,19,20,24)/t12-/m1/s1.
What are the key properties of 2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 348.41 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137157343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).