5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione

C8H10N6O2 — CID 163654867

IUPAC5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESNCCn1c(=O)[nH]c(=O)c2c(N)ncnc21
InChIInChI=1S/C8H10N6O2/c9-1-2-14-6-4(5(10)11-3-12-6)7(15)13-8(14)16/h3H,1-2,9H2,(H2,10,11,12)(H,13,15,16)
InChIKeyIPILVVHYRPQMJA-UHFFFAOYSA-N
MW222.21 g/mol
LogP-1.98
Rot. Bonds2

About 5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione

5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 163654867) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID163654867
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESNCCn1c(=O)[nH]c(=O)c2c(N)ncnc21
InChIInChI=1S/C8H10N6O2/c9-1-2-14-6-4(5(10)11-3-12-6)7(15)13-8(14)16/h3H,1-2,9H2,(H2,10,11,12)(H,13,15,16)
InChIKeyIPILVVHYRPQMJA-UHFFFAOYSA-N
XLogP-1.98
TPSA132.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide
CID 43546324
1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine
CID 139146359
5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 114759819
3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117263314
7-(3-aminopropyl)-3-ethylpurine-2,6-dione
CID 82465591
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020
7-(3-aminopropyl)-3-(3-methoxypropyl)purine-2,6-dione
CID 82465650
6-amino-9-(methylamino)-7H-purin-8-one
CID 174181604
4-amino-8-ethylpyrido[2,3-d]pyrimidin-5-one
CID 163553264
5-bromo-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 175450495
7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43591434
4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 22943282

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione (CID 163654867) is 5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione is NCCn1c(=O)[nH]c(=O)c2c(N)ncnc21.
What is the InChIKey of 5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is IPILVVHYRPQMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c9-1-2-14-6-4(5(10)11-3-12-6)7(15)13-8(14)16/h3H,1-2,9H2,(H2,10,11,12)(H,13,15,16).
What are the key properties of 5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione?
5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 222.21 g/mol, XLogP of -1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 163654867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).