N-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide

C13H23N5O4 — CID 137123516

IUPACN-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
SMILESCOC(CO)CCNc1nc(NC(=O)C(C)C)[nH]c(=O)c1N
InChIInChI=1S/C13H23N5O4/c1-7(2)11(20)17-13-16-10(9(14)12(21)18-13)15-5-4-8(6-19)22-3/h7-8,19H,4-6,14H2,1-3H3,(H3,15,16,17,18,20,21)
InChIKeyIXGSTLYDIMWOHC-UHFFFAOYSA-N
MW313.36 g/mol
LogP-0.24
Rot. Bonds8

About N-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide

N-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide (PubChem CID 137123516) has the molecular formula C13H23N5O4 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
PubChem CID137123516
Molecular FormulaC13H23N5O4
Molecular Weight313.36 g/mol
Exact Mass313.18
IUPAC NameN-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
SMILESCOC(CO)CCNc1nc(NC(=O)C(C)C)[nH]c(=O)c1N
InChIInChI=1S/C13H23N5O4/c1-7(2)11(20)17-13-16-10(9(14)12(21)18-13)15-5-4-8(6-19)22-3/h7-8,19H,4-6,14H2,1-3H3,(H3,15,16,17,18,20,21)
InChIKeyIXGSTLYDIMWOHC-UHFFFAOYSA-N
XLogP-0.24
TPSA142.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide (CID 137123516) is N-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide is COC(CO)CCNc1nc(NC(=O)C(C)C)[nH]c(=O)c1N.
What is the InChIKey of N-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
The InChIKey is IXGSTLYDIMWOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O4/c1-7(2)11(20)17-13-16-10(9(14)12(21)18-13)15-5-4-8(6-19)22-3/h7-8,19H,4-6,14H2,1-3H3,(H3,15,16,17,18,20,21).
What are the key properties of N-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
N-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide has a molecular weight of 313.36 g/mol, XLogP of -0.24, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-4-[(4-hydroxy-3-methoxybutyl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 137123516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).