6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione

C18H23N5O3 — CID 18136975

IUPAC6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CC)Cc2nc3ccccc3o2)c(=O)[nH]c1=O
InChIInChI=1S/C18H23N5O3/c1-3-5-10-23-16(19)15(17(24)21-18(23)25)22(4-2)11-14-20-12-8-6-7-9-13(12)26-14/h6-9H,3-5,10-11,19H2,1-2H3,(H,21,24,25)
InChIKeyQOQVSZQGQKDFNU-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.09
Rot. Bonds7

About 6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione

6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione (PubChem CID 18136975) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione
PubChem CID18136975
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CC)Cc2nc3ccccc3o2)c(=O)[nH]c1=O
InChIInChI=1S/C18H23N5O3/c1-3-5-10-23-16(19)15(17(24)21-18(23)25)22(4-2)11-14-20-12-8-6-7-9-13(12)26-14/h6-9H,3-5,10-11,19H2,1-2H3,(H,21,24,25)
InChIKeyQOQVSZQGQKDFNU-UHFFFAOYSA-N
XLogP2.09
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
CID 110009359
6-amino-5-[2,1,3-benzothiadiazol-4-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione
CID 75383466
6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione
CID 55499123
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 16539566
6-amino-1-butyl-5-[ethyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]pyrimidine-2,4-dione
CID 78834984
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-benzofuran-2-carboxamide
CID 8838834
6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione
CID 112808531
6-amino-1-butyl-5-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl-ethylamino]pyrimidine-2,4-dione
CID 29467659
6-amino-5-[benzyl-[(4-nitrophenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 33411212
3-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-4-fluorobenzonitrile
CID 24595641
6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 34653306
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-benzhydryl-N-methylacetamide
CID 55498315

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione (CID 18136975) is 6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione is CCCCn1c(N)c(N(CC)Cc2nc3ccccc3o2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione?
The InChIKey is QOQVSZQGQKDFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-3-5-10-23-16(19)15(17(24)21-18(23)25)22(4-2)11-14-20-12-8-6-7-9-13(12)26-14/h6-9H,3-5,10-11,19H2,1-2H3,(H,21,24,25).
What are the key properties of 6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione?
6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione is sourced from PubChem (CID 18136975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).