6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione

C12H23N5O2 — CID 61480086

IUPAC6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione
SMILESCC(C)C(CN(C)C)Nc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H23N5O2/c1-7(2)8(6-16(3)4)14-9-10(13)17(5)12(19)15-11(9)18/h7-8,14H,6,13H2,1-5H3,(H,15,18,19)
InChIKeyPSKHDKDLSHPOAR-UHFFFAOYSA-N
MW269.35 g/mol
LogP-0.35
Rot. Bonds5

About 6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione

6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione (PubChem CID 61480086) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione
PubChem CID61480086
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione
SMILESCC(C)C(CN(C)C)Nc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H23N5O2/c1-7(2)8(6-16(3)4)14-9-10(13)17(5)12(19)15-11(9)18/h7-8,14H,6,13H2,1-5H3,(H,15,18,19)
InChIKeyPSKHDKDLSHPOAR-UHFFFAOYSA-N
XLogP-0.35
TPSA96.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione (CID 61480086) is 6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione is CC(C)C(CN(C)C)Nc1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione?
The InChIKey is PSKHDKDLSHPOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-7(2)8(6-16(3)4)14-9-10(13)17(5)12(19)15-11(9)18/h7-8,14H,6,13H2,1-5H3,(H,15,18,19).
What are the key properties of 6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione has a molecular weight of 269.35 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 61480086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).