5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione

C10H18N4O2 — CID 46236315

IUPAC5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione
SMILESCC(C)CCNc1[nH]c(=O)n(C)c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-6(2)4-5-12-8-7(11)9(15)14(3)10(16)13-8/h6,12H,4-5,11H2,1-3H3,(H,13,16)
InChIKeyPXDYQZKCYMSCBJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.11
Rot. Bonds4

About 5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione

5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione (PubChem CID 46236315) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione
PubChem CID46236315
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione
SMILESCC(C)CCNc1[nH]c(=O)n(C)c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-6(2)4-5-12-8-7(11)9(15)14(3)10(16)13-8/h6,12H,4-5,11H2,1-3H3,(H,13,16)
InChIKeyPXDYQZKCYMSCBJ-UHFFFAOYSA-N
XLogP0.11
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-5-(butylamino)-1-(2-methylpropyl)-2,4(1H,3H)-pyrimidinedione
CID 3813450
6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
6-Amino-1-butyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363721
6-Amino-1-butyl-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2384333
6-Amino-1-butyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2393504
Bas 00444373
CID 3107550
5,6-Diamino-1,3-dipropyl-2,4(1H,3H)-pyrimidinedione
CID 5098605
1,3-dimethyl-6-[(3-methylbutyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 777240
6-Amino-1-(2-methylpropyl)-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2366802
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide
CID 2110810
6-Amino-1-butyl-5-[(3-methylbutyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2341172
1-Hx-5,6-diAm-pyrimidin-2,4-dione
CID 10013929

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione (CID 46236315) is 5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione is CC(C)CCNc1[nH]c(=O)n(C)c(=O)c1N.
What is the InChIKey of 5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is PXDYQZKCYMSCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6(2)4-5-12-8-7(11)9(15)14(3)10(16)13-8/h6,12H,4-5,11H2,1-3H3,(H,13,16).
What are the key properties of 5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione?
5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-6-(3-methylbutylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 46236315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).