8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine

C13H22N8 — CID 159581463

IUPAC8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCCc1nc(N(C)C)nc2c(NC)nc(N(C)NC)nc12
InChIInChI=1S/C13H22N8/c1-7-8-9-10(18-12(16-8)20(4)5)11(14-2)19-13(17-9)21(6)15-3/h15H,7H2,1-6H3,(H,14,17,19)
InChIKeyKVXXZTVTYPEACV-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.66
Rot. Bonds5

About 8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine

8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 159581463) has the molecular formula C13H22N8 and a molecular weight of 290.38 g/mol. Its IUPAC name is 8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID159581463
Molecular FormulaC13H22N8
Molecular Weight290.38 g/mol
Exact Mass290.20
IUPAC Name8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCCc1nc(N(C)C)nc2c(NC)nc(N(C)NC)nc12
InChIInChI=1S/C13H22N8/c1-7-8-9-10(18-12(16-8)20(4)5)11(14-2)19-13(17-9)21(6)15-3/h15H,7H2,1-6H3,(H,14,17,19)
InChIKeyKVXXZTVTYPEACV-UHFFFAOYSA-N
XLogP0.66
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine
CID 159581462
2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride
CID 134520430
1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol
CID 158932033
2-[2-(dimethylamino)ethyl]-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 115347025
4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine
CID 79218408
6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine
CID 66300257
4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456592
2-N,2-N,6-N-trimethyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80839638
2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride
CID 134520372
(2S)-1-[[2-(cyclopropylmethylamino)-8-ethyl-4-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol
CID 161444337
1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol
CID 134520331
2-N,4-N,4-N,6-N-tetramethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80774094

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine (CID 159581463) is 8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine is CCc1nc(N(C)C)nc2c(NC)nc(N(C)NC)nc12.
What is the InChIKey of 8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is KVXXZTVTYPEACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N8/c1-7-8-9-10(18-12(16-8)20(4)5)11(14-2)19-13(17-9)21(6)15-3/h15H,7H2,1-6H3,(H,14,17,19).
What are the key properties of 8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine?
8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 290.38 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 159581463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).