6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione

C7H11N3O2 — CID 91207080

IUPAC6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(CN)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-2-10-6(11)3-5(4-8)9-7(10)12/h3H,2,4,8H2,1H3,(H,9,12)
InChIKeyOQJICHFTAYMMGV-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.98
Rot. Bonds2

About 6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione

6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione (PubChem CID 91207080) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione
PubChem CID91207080
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(CN)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-2-10-6(11)3-5(4-8)9-7(10)12/h3H,2,4,8H2,1H3,(H,9,12)
InChIKeyOQJICHFTAYMMGV-UHFFFAOYSA-N
XLogP-0.98
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-sec-Butyl-6-methyluracil
CID 100019
2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-
CID 88193
5-Amino-3,6-dimethylpyrimidine-2,4(1H,3H)-dione
CID 57357509
6-Amino-1-[2-(diethylamino)ethyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2118143
N-Isopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 2227167
2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-methyl-
CID 70505
Uracil, 3-butyl-6-methyl-
CID 70528
Uracil, 6-methyl-4-propyl-
CID 165610
1,6-Dimethyl-3-ethyluracil
CID 21627127
6-(Aminomethyl)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 12328989
N-cyclopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide
CID 1505767
N-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2,4-hexadienamide
CID 2053608

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione (CID 91207080) is 6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione is CCn1c(=O)cc(CN)[nH]c1=O.
What is the InChIKey of 6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione?
The InChIKey is OQJICHFTAYMMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-10-6(11)3-5(4-8)9-7(10)12/h3H,2,4,8H2,1H3,(H,9,12).
What are the key properties of 6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione?
6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-ethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91207080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).