6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione

C24H29N5O3 — CID 60575810

IUPAC6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione
SMILESNc1c(N(CCN2CCOCC2)Cc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C24H29N5O3/c25-22-21(23(30)26-24(31)29(22)18-20-9-5-2-6-10-20)28(17-19-7-3-1-4-8-19)12-11-27-13-15-32-16-14-27/h1-10H,11-18,25H2,(H,26,30,31)
InChIKeySFTHWSRUNCOHMA-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.51
Rot. Bonds8

About 6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione

6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione (PubChem CID 60575810) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione
PubChem CID60575810
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione
SMILESNc1c(N(CCN2CCOCC2)Cc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C24H29N5O3/c25-22-21(23(30)26-24(31)29(22)18-20-9-5-2-6-10-20)28(17-19-7-3-1-4-8-19)12-11-27-13-15-32-16-14-27/h1-10H,11-18,25H2,(H,26,30,31)
InChIKeySFTHWSRUNCOHMA-UHFFFAOYSA-N
XLogP1.51
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione
CID 34646419
6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione
CID 34651310
6-amino-1-benzyl-5-[benzyl-[(2-nitrophenyl)methyl]amino]pyrimidine-2,4-dione
CID 34646790
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55387278
3-[[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]methyl]-N,N-dimethylbenzamide
CID 55989757
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 34646506
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 46595309
6-amino-1-benzyl-5-[(2-bromophenyl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione
CID 46537618
1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-methyl-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 9093549
3-[[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-N,N-dimethylbenzenesulfonamide
CID 16597082
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
6-amino-5-[benzyl-[2-(4-chlorophenoxy)ethyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 38777857

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione (CID 60575810) is 6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione is Nc1c(N(CCN2CCOCC2)Cc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione?
The InChIKey is SFTHWSRUNCOHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c25-22-21(23(30)26-24(31)29(22)18-20-9-5-2-6-10-20)28(17-19-7-3-1-4-8-19)12-11-27-13-15-32-16-14-27/h1-10H,11-18,25H2,(H,26,30,31).
What are the key properties of 6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione?
6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione has a molecular weight of 435.53 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 60575810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).