6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione

C13H24N4O3 — CID 61362996

IUPAC6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCC(C)CO)c(=O)n(C)c1=O
InChIInChI=1S/C13H24N4O3/c1-4-5-6-17-11(14)10(15-7-9(2)8-18)12(19)16(3)13(17)20/h9,15,18H,4-8,14H2,1-3H3
InChIKeyARHRRQNZGICUIN-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.03
Rot. Bonds7

About 6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione

6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione (PubChem CID 61362996) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione
PubChem CID61362996
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCC(C)CO)c(=O)n(C)c1=O
InChIInChI=1S/C13H24N4O3/c1-4-5-6-17-11(14)10(15-7-9(2)8-18)12(19)16(3)13(17)20/h9,15,18H,4-8,14H2,1-3H3
InChIKeyARHRRQNZGICUIN-UHFFFAOYSA-N
XLogP-0.03
TPSA102.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
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-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione (CID 61362996) is 6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione is CCCCn1c(N)c(NCC(C)CO)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione?
The InChIKey is ARHRRQNZGICUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-4-5-6-17-11(14)10(15-7-9(2)8-18)12(19)16(3)13(17)20/h9,15,18H,4-8,14H2,1-3H3.
What are the key properties of 6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione?
6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione has a molecular weight of 284.36 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 61362996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).