[1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid

C15H25N5O3 — CID 69042935

IUPAC[1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CC1CCCN(c2cnc(=O)[nH]c2N)C1)C(=O)O
InChIInChI=1S/C15H25N5O3/c1-15(2,3)20(14(22)23)9-10-5-4-6-19(8-10)11-7-17-13(21)18-12(11)16/h7,10H,4-6,8-9H2,1-3H3,(H,22,23)(H3,16,17,18,21)
InChIKeyUINITVSCNQFEMR-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.35
Rot. Bonds3

About [1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid

[1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid (PubChem CID 69042935) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is [1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name[1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid
PubChem CID69042935
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name[1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CC1CCCN(c2cnc(=O)[nH]c2N)C1)C(=O)O
InChIInChI=1S/C15H25N5O3/c1-15(2,3)20(14(22)23)9-10-5-4-6-19(8-10)11-7-17-13(21)18-12(11)16/h7,10H,4-6,8-9H2,1-3H3,(H,22,23)(H3,16,17,18,21)
InChIKeyUINITVSCNQFEMR-UHFFFAOYSA-N
XLogP1.35
TPSA115.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid?
The IUPAC name of [1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid (CID 69042935) is [1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid.
What is the SMILES notation for [1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid?
The canonical SMILES for [1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid is CC(C)(C)N(CC1CCCN(c2cnc(=O)[nH]c2N)C1)C(=O)O.
What is the InChIKey of [1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid?
The InChIKey is UINITVSCNQFEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-15(2,3)20(14(22)23)9-10-5-4-6-19(8-10)11-7-17-13(21)18-12(11)16/h7,10H,4-6,8-9H2,1-3H3,(H,22,23)(H3,16,17,18,21).
What are the key properties of [1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid?
[1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid has a molecular weight of 323.40 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-amino-2-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]methyl-tert-butylcarbamic acid is sourced from PubChem (CID 69042935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).