6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine

C11H16ClN7 — CID 159581462

IUPAC6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine
SMILESCCc1nc(Cl)nc2c(NC)nc(N(C)NC)nc12
InChIInChI=1S/C11H16ClN7/c1-5-6-7-8(16-10(12)15-6)9(13-2)18-11(17-7)19(4)14-3/h14H,5H2,1-4H3,(H,13,17,18)
InChIKeyHTSYHFBGWMSSMI-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.25
Rot. Bonds4

About 6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine

6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 159581462) has the molecular formula C11H16ClN7 and a molecular weight of 281.75 g/mol. Its IUPAC name is 6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine
PubChem CID159581462
Molecular FormulaC11H16ClN7
Molecular Weight281.75 g/mol
Exact Mass281.12
IUPAC Name6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine
SMILESCCc1nc(Cl)nc2c(NC)nc(N(C)NC)nc12
InChIInChI=1S/C11H16ClN7/c1-5-6-7-8(16-10(12)15-6)9(13-2)18-11(17-7)19(4)14-3/h14H,5H2,1-4H3,(H,13,17,18)
InChIKeyHTSYHFBGWMSSMI-UHFFFAOYSA-N
XLogP1.25
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 159581463
2,8-dichloro-4-ethylquinazoline
CID 105484309
1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol
CID 158932033
2-[[2,6-dichloro-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]ethanol
CID 151785816
2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride
CID 134520430
2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine
CID 144717395
4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456592
6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine
CID 66300257
2-chloro-4,5-diethyl-6-methylpyrimidine
CID 155686934
2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 107125357
2-(2,6-dichlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 55222206
2,5,6-trichloro-N-methylpyrimidin-4-amine
CID 20705355

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine (CID 159581462) is 6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine is CCc1nc(Cl)nc2c(NC)nc(N(C)NC)nc12.
What is the InChIKey of 6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine?
The InChIKey is HTSYHFBGWMSSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN7/c1-5-6-7-8(16-10(12)15-6)9(13-2)18-11(17-7)19(4)14-3/h14H,5H2,1-4H3,(H,13,17,18).
What are the key properties of 6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine?
6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 281.75 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-ethyl-N-methyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159581462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).