6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione

C18H26N4O3 — CID 110009359

IUPAC6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CC)Cc2ccc(CO)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H26N4O3/c1-3-5-10-22-16(19)15(17(24)20-18(22)25)21(4-2)11-13-6-8-14(12-23)9-7-13/h6-9,23H,3-5,10-12,19H2,1-2H3,(H,20,24,25)
InChIKeyGHVCDSYVVIZDBT-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.44
Rot. Bonds8

About 6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione (PubChem CID 110009359) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
PubChem CID110009359
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CC)Cc2ccc(CO)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H26N4O3/c1-3-5-10-22-16(19)15(17(24)20-18(22)25)21(4-2)11-13-6-8-14(12-23)9-7-13/h6-9,23H,3-5,10-12,19H2,1-2H3,(H,20,24,25)
InChIKeyGHVCDSYVVIZDBT-UHFFFAOYSA-N
XLogP1.44
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-[benzyl-[(4-nitrophenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 33411212
6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 34653306
6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione
CID 18136975
3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide
CID 30891861
6-amino-1-butyl-5-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]pyrimidine-2,4-dione
CID 55499123
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(1-phenylethyl)acetamide
CID 43061837
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 34651789
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-benzyl-N-ethylacetamide
CID 55591424
6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione
CID 34651310
3-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-4-fluorobenzonitrile
CID 24595641
ethyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]acetyl]piperazine-1-carboxylate
CID 34651964
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 18077285

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione (CID 110009359) is 6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(CC)Cc2ccc(CO)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione?
The InChIKey is GHVCDSYVVIZDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-5-10-22-16(19)15(17(24)20-18(22)25)21(4-2)11-13-6-8-14(12-23)9-7-13/h6-9,23H,3-5,10-12,19H2,1-2H3,(H,20,24,25).
What are the key properties of 6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione has a molecular weight of 346.43 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 110009359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).