6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione

C21H30N4O5 — CID 8891206

IUPAC6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCCCn1c(N)c([C@@H](c2cc(OC)c(OC)c(OC)c2)N2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H30N4O5/c1-5-8-25-19(22)16(20(26)23-21(25)27)17(24-9-6-7-10-24)13-11-14(28-2)18(30-4)15(12-13)29-3/h11-12,17H,5-10,22H2,1-4H3,(H,23,26,27)/t17-/m1/s1
InChIKeyKJBHPNQANCKGPR-QGZVFWFLSA-N
MW418.49 g/mol
LogP1.74
Rot. Bonds8

About 6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione

6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 8891206) has the molecular formula C21H30N4O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is 6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID8891206
Molecular FormulaC21H30N4O5
Molecular Weight418.49 g/mol
Exact Mass418.22
IUPAC Name6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCCCn1c(N)c([C@@H](c2cc(OC)c(OC)c(OC)c2)N2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H30N4O5/c1-5-8-25-19(22)16(20(26)23-21(25)27)17(24-9-6-7-10-24)13-11-14(28-2)18(30-4)15(12-13)29-3/h11-12,17H,5-10,22H2,1-4H3,(H,23,26,27)/t17-/m1/s1
InChIKeyKJBHPNQANCKGPR-QGZVFWFLSA-N
XLogP1.74
TPSA111.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-propyl-5-[(S)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione
CID 8891208
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide
CID 8917987
3-propyl-8-[2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione
CID 67567091
1-[pyridin-4-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3356255
6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione
CID 94075074
N-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine
CID 22692545
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9336775
methyl 4-[(S)-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methyl]benzoate
CID 33049292
6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60649217
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 7016984
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione (CID 8891206) is 6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione is CCCn1c(N)c([C@@H](c2cc(OC)c(OC)c(OC)c2)N2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is KJBHPNQANCKGPR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N4O5/c1-5-8-25-19(22)16(20(26)23-21(25)27)17(24-9-6-7-10-24)13-11-14(28-2)18(30-4)15(12-13)29-3/h11-12,17H,5-10,22H2,1-4H3,(H,23,26,27)/t17-/m1/s1.
What are the key properties of 6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione?
6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 418.49 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-propyl-5-[(R)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 8891206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).