5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine

C8H11N7 — CID 91620948

IUPAC5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine
SMILESCCc1nc(N)nc2nc(N)nc(N)c12
InChIInChI=1S/C8H11N7/c1-2-3-4-5(9)13-8(11)15-6(4)14-7(10)12-3/h2H2,1H3,(H6,9,10,11,12,13,14,15)
InChIKeyLISGOJFINRTKOM-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.27
Rot. Bonds1

About 5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine

5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine (PubChem CID 91620948) has the molecular formula C8H11N7 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine.

Molecular Properties

Compound Name5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine
PubChem CID91620948
Molecular FormulaC8H11N7
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine
SMILESCCc1nc(N)nc2nc(N)nc(N)c12
InChIInChI=1S/C8H11N7/c1-2-3-4-5(9)13-8(11)15-6(4)14-7(10)12-3/h2H2,1H3,(H6,9,10,11,12,13,14,15)
InChIKeyLISGOJFINRTKOM-UHFFFAOYSA-N
XLogP-0.27
TPSA129.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 54452472
(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methanol
CID 14077655
6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10265764
4-ethylquinazolin-2-amine
CID 10352174
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine
CID 168990564
5-methylpyrimido[4,5-d]pyrimidine-2,4-diamine
CID 134914565
6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10062289
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
4-(2,4-diamino-6-ethylpyrimidin-5-yl)benzaldehyde
CID 86061883
5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride
CID 163998742
3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 115030401
5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine
CID 25099412

Frequently Asked Questions

What is the IUPAC name of 5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine?
The IUPAC name of 5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine (CID 91620948) is 5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine.
What is the SMILES notation for 5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine?
The canonical SMILES for 5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine is CCc1nc(N)nc2nc(N)nc(N)c12.
What is the InChIKey of 5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine?
The InChIKey is LISGOJFINRTKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-2-3-4-5(9)13-8(11)15-6(4)14-7(10)12-3/h2H2,1H3,(H6,9,10,11,12,13,14,15).
What are the key properties of 5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine?
5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine has a molecular weight of 205.22 g/mol, XLogP of -0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylpyrimido[4,5-d]pyrimidine-2,4,7-triamine is sourced from PubChem (CID 91620948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).