5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione

C12H22N4O2 — CID 91456401

IUPAC5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(CCN)c(CCN)c1=O
InChIInChI=1S/C12H22N4O2/c1-8(2)7-16-11(17)9(3-5-13)10(4-6-14)15-12(16)18/h8H,3-7,13-14H2,1-2H3,(H,15,18)
InChIKeyUIGKUMGHPRCTCS-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.81
Rot. Bonds6

About 5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione

5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione (PubChem CID 91456401) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione
PubChem CID91456401
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(CCN)c(CCN)c1=O
InChIInChI=1S/C12H22N4O2/c1-8(2)7-16-11(17)9(3-5-13)10(4-6-14)15-12(16)18/h8H,3-7,13-14H2,1-2H3,(H,15,18)
InChIKeyUIGKUMGHPRCTCS-UHFFFAOYSA-N
XLogP-0.81
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Uracil, 3,6-dimethyl-5-ethyl-
CID 3021669
Uracil, 3-butyl-5-isobutyl-6-methyl-
CID 3021919
N-cyclopentyl-2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
CID 45497048
2-(dimethylamino)-N-methyl-4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepine-7-carboxamide
CID 136880733
pyrimidine-2,4(1H,3H)-dione, 5-ethyl-1-methyl-6-propyl-
CID 129939632
pyrimidine-2,4(1H,3H)-dione, 5-ethyl-3-methyl-6-propyl-
CID 130005194
N-cyclohexyl-2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
CID 44088730
N-allyl-N-isopropyl-2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
CID 56714018
N-ethyl-2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 11694370
3-butyl-5,6-ditert-butyl-1H-pyrimidine-2,4-dione
CID 20872091
3,5-dimethyl-6-propyl-1H-pyrimidine-2,4-dione
CID 22075435
5,6-Ditert-butyl-3-propyl-1,2-dihydropyrimidin-4-one
CID 23552394

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione (CID 91456401) is 5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione is CC(C)Cn1c(=O)[nH]c(CCN)c(CCN)c1=O.
What is the InChIKey of 5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is UIGKUMGHPRCTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8(2)7-16-11(17)9(3-5-13)10(4-6-14)15-12(16)18/h8H,3-7,13-14H2,1-2H3,(H,15,18).
What are the key properties of 5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione?
5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of -0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91456401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).