N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide

C12H19N5O2 — CID 136792778

IUPACN-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C12H19N5O2/c1-8(18)14-6-9-2-4-17(5-3-9)11-10(13)12(19)16-7-15-11/h7,9H,2-6,13H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyYVMBWNSXCKKGGJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.30
Rot. Bonds3

About N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide

N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 136792778) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID136792778
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C12H19N5O2/c1-8(18)14-6-9-2-4-17(5-3-9)11-10(13)12(19)16-7-15-11/h7,9H,2-6,13H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyYVMBWNSXCKKGGJ-UHFFFAOYSA-N
XLogP-0.30
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136990019
5-amino-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009794
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}acetamide
CID 165431804
5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 166390904
2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 137148918
6-Amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione
CID 60965218
6-Amino-1-methyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione
CID 60965219
6-Amino-1-ethyl-5-[(1-ethylpiperidin-4-yl)methylamino]pyrimidine-2,4-dione
CID 61609952
6-Amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1-methylpyrimidine-2,4-dione
CID 61609953
6-Amino-5-[(1-methylpiperidin-4-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 61789538
6-Amino-1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyrimidine-2,4-dione
CID 61789920
6-Amino-1-methyl-5-[(1-methylpiperidin-4-yl)methylamino]pyrimidine-2,4-dione
CID 61790113

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (CID 136792778) is N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is YVMBWNSXCKKGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8(18)14-6-9-2-4-17(5-3-9)11-10(13)12(19)16-7-15-11/h7,9H,2-6,13H2,1H3,(H,14,18)(H,15,16,19).
What are the key properties of N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 265.32 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 136792778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).