6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

C12H19BrN4O2 — CID 115594966

IUPAC6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESC=C(Br)CNc1c(N)n(CC(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C12H19BrN4O2/c1-7(2)6-17-10(14)9(15-5-8(3)13)11(18)16(4)12(17)19/h7,15H,3,5-6,14H2,1-2,4H3
InChIKeyHZXQSPAOVOSRNZ-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.11
Rot. Bonds5

About 6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 115594966) has the molecular formula C12H19BrN4O2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID115594966
Molecular FormulaC12H19BrN4O2
Molecular Weight331.21 g/mol
Exact Mass330.07
IUPAC Name6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESC=C(Br)CNc1c(N)n(CC(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C12H19BrN4O2/c1-7(2)6-17-10(14)9(15-5-8(3)13)11(18)16(4)12(17)19/h7,15H,3,5-6,14H2,1-2,4H3
InChIKeyHZXQSPAOVOSRNZ-UHFFFAOYSA-N
XLogP1.11
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 107389812
6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 115622855
6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 63239465
6-amino-3-methyl-5-[(1-methylcyclobutyl)methylamino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 103736927
6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 60919996
5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4110339
6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61368695
6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione
CID 61360583
6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione
CID 103704326
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide
CID 60677988
N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide
CID 94065195
6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 102699140

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 115594966) is 6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is C=C(Br)CNc1c(N)n(CC(C)C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is HZXQSPAOVOSRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O2/c1-7(2)6-17-10(14)9(15-5-8(3)13)11(18)16(4)12(17)19/h7,15H,3,5-6,14H2,1-2,4H3.
What are the key properties of 6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 331.21 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115594966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).