6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione

C23H24N4O3 — CID 18124231

IUPAC6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione
SMILESNc1c(C(=O)CN(Cc2ccccc2)Cc2ccccc2)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C23H24N4O3/c24-21-20(22(29)25-23(30)27(21)18-11-12-18)19(28)15-26(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10,18H,11-15,24H2,(H,25,29,30)
InChIKeyBXYOMSWJCATXRT-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.34
Rot. Bonds8

About 6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione

6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione (PubChem CID 18124231) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione
PubChem CID18124231
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione
SMILESNc1c(C(=O)CN(Cc2ccccc2)Cc2ccccc2)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C23H24N4O3/c24-21-20(22(29)25-23(30)27(21)18-11-12-18)19(28)15-26(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10,18H,11-15,24H2,(H,25,29,30)
InChIKeyBXYOMSWJCATXRT-UHFFFAOYSA-N
XLogP2.34
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione
CID 18124463
6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione
CID 18124467
6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione
CID 38846872
6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 25341475
6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9360297
6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 9360291
6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9360293
6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 9261805
[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 9381073
6-amino-1-cyclopropyl-5-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 24600717
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclopropanecarboxamide
CID 26069674
6-amino-1-cyclopropyl-5-[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24518376

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione (CID 18124231) is 6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione is Nc1c(C(=O)CN(Cc2ccccc2)Cc2ccccc2)c(=O)[nH]c(=O)n1C1CC1.
What is the InChIKey of 6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione?
The InChIKey is BXYOMSWJCATXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c24-21-20(22(29)25-23(30)27(21)18-11-12-18)19(28)15-26(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10,18H,11-15,24H2,(H,25,29,30).
What are the key properties of 6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione?
6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione has a molecular weight of 404.47 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-5-[2-(dibenzylamino)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 18124231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).