6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione

C20H30N4O3 — CID 34200106

IUPAC6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione
SMILESCC(C)CN(CCOc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H30N4O3/c1-14(2)12-23(10-11-27-16-8-6-5-7-9-16)17-18(21)24(13-15(3)4)20(26)22-19(17)25/h5-9,14-15H,10-13,21H2,1-4H3,(H,22,25,26)
InChIKeyIHPTWGUREBUIHY-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.32
Rot. Bonds9

About 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione

6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione (PubChem CID 34200106) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione
PubChem CID34200106
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione
SMILESCC(C)CN(CCOc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H30N4O3/c1-14(2)12-23(10-11-27-16-8-6-5-7-9-16)17-18(21)24(13-15(3)4)20(26)22-19(17)25/h5-9,14-15H,10-13,21H2,1-4H3,(H,22,25,26)
InChIKeyIHPTWGUREBUIHY-UHFFFAOYSA-N
XLogP2.32
TPSA93.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
CID 78860414
6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 56550716
6-amino-5-[(3-fluorophenyl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 55591309
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide
CID 46594520
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione
CID 34200596
4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid
CID 119955367
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 2558690
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
CID 34200466
6-amino-5-[benzyl-[2-(4-chlorophenoxy)ethyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 38777857
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-phenoxyacetamide
CID 4805512
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-(phenoxymethyl)furan-2-carboxamide
CID 25163160
N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39320124

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione (CID 34200106) is 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione is CC(C)CN(CCOc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione?
The InChIKey is IHPTWGUREBUIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-14(2)12-23(10-11-27-16-8-6-5-7-9-16)17-18(21)24(13-15(3)4)20(26)22-19(17)25/h5-9,14-15H,10-13,21H2,1-4H3,(H,22,25,26).
What are the key properties of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione?
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione has a molecular weight of 374.49 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 34200106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).