2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione

C14H18N6O2 — CID 59074268

IUPAC2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione
SMILESNC1CCN(c2ncc3c(=O)[nH]c(=O)n(C4CCC4)c3n2)C1
InChIInChI=1S/C14H18N6O2/c15-8-4-5-19(7-8)13-16-6-10-11(17-13)20(9-2-1-3-9)14(22)18-12(10)21/h6,8-9H,1-5,7,15H2,(H,18,21,22)
InChIKeyXRERZNWETYLURC-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.26
Rot. Bonds2

About 2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione

2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione (PubChem CID 59074268) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione
PubChem CID59074268
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione
SMILESNC1CCN(c2ncc3c(=O)[nH]c(=O)n(C4CCC4)c3n2)C1
InChIInChI=1S/C14H18N6O2/c15-8-4-5-19(7-8)13-16-6-10-11(17-13)20(9-2-1-3-9)14(22)18-12(10)21/h6,8-9H,1-5,7,15H2,(H,18,21,22)
InChIKeyXRERZNWETYLURC-UHFFFAOYSA-N
XLogP-0.26
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(3-aminopyrrolidin-1-yl)-8-chloro-1-methylpyrido[4,3-d]pyrimidine-2,4-dione
CID 59074312
8-cyclopentyl-2-(3,6-dihydro-2H-pyridin-1-yl)-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 171328105
8-cyclopentyl-2-[3-(hydroxymethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 171324009
7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 59074242
2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 11101322
2-(3-aminopyrrolidin-1-yl)-5-methylsulfonylpyrimidin-4-amine
CID 82380471
(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 71643779
7-amino-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 118712153
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
8-cyclopentyl-2-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 154583458
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 104606397
1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71644293

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione (CID 59074268) is 2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione is NC1CCN(c2ncc3c(=O)[nH]c(=O)n(C4CCC4)c3n2)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione?
The InChIKey is XRERZNWETYLURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c15-8-4-5-19(7-8)13-16-6-10-11(17-13)20(9-2-1-3-9)14(22)18-12(10)21/h6,8-9H,1-5,7,15H2,(H,18,21,22).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione?
2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione has a molecular weight of 302.34 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-8-cyclobutylpyrimido[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 59074268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).