2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid

C12H19N5O3 — CID 136745655

IUPAC2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
SMILESNc1c(N2CCCC(CNCC(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C12H19N5O3/c13-10-11(15-7-16-12(10)20)17-3-1-2-8(6-17)4-14-5-9(18)19/h7-8,14H,1-6,13H2,(H,18,19)(H,15,16,20)
InChIKeyUOSOXHZKXCNBQT-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.76
Rot. Bonds5

About 2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 136745655) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
PubChem CID136745655
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
SMILESNc1c(N2CCCC(CNCC(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C12H19N5O3/c13-10-11(15-7-16-12(10)20)17-3-1-2-8(6-17)4-14-5-9(18)19/h7-8,14H,1-6,13H2,(H,18,19)(H,15,16,20)
InChIKeyUOSOXHZKXCNBQT-UHFFFAOYSA-N
XLogP-0.76
TPSA124.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid with MolForge

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Related Compounds

2-[[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 136745656
2-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 136745657
2-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 136745659
2-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 136745660
5-amino-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805337
5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805355
5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805365
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 136958450
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid
CID 136958519
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid
CID 136958840
5-amino-4-[3-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136972878
5-amino-4-[(1-methylpiperidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136975077

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid (CID 136745655) is 2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid is Nc1c(N2CCCC(CNCC(=O)O)C2)nc[nH]c1=O.
What is the InChIKey of 2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is UOSOXHZKXCNBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c13-10-11(15-7-16-12(10)20)17-3-1-2-8(6-17)4-14-5-9(18)19/h7-8,14H,1-6,13H2,(H,18,19)(H,15,16,20).
What are the key properties of 2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 281.32 g/mol, XLogP of -0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 136745655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).