6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione

C13H24N4O3 — CID 79246336

IUPAC6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NC(CO)C(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C13H24N4O3/c1-5-6-17-11(14)10(12(19)16(4)13(17)20)15-9(7-18)8(2)3/h8-9,15,18H,5-7,14H2,1-4H3
InChIKeySKRFAJFZSWERLN-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.03
Rot. Bonds6

About 6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 79246336) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID79246336
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NC(CO)C(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C13H24N4O3/c1-5-6-17-11(14)10(12(19)16(4)13(17)20)15-9(7-18)8(2)3/h8-9,15,18H,5-7,14H2,1-4H3
InChIKeySKRFAJFZSWERLN-UHFFFAOYSA-N
XLogP-0.03
TPSA102.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione (CID 79246336) is 6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NC(CO)C(C)C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is SKRFAJFZSWERLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-5-6-17-11(14)10(12(19)16(4)13(17)20)15-9(7-18)8(2)3/h8-9,15,18H,5-7,14H2,1-4H3.
What are the key properties of 6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 284.36 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 79246336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).