2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine

C18H22N6 — CID 135368085

IUPAC2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C18H22N6/c1-18(2,24(3)4)12-21-17-14-7-10-20-11-15(14)22-16(23-17)13-5-8-19-9-6-13/h5-11H,12H2,1-4H3,(H,21,22,23)
InChIKeyDKTKSNOAXMCFTA-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.84
Rot. Bonds5

About 2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine (PubChem CID 135368085) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
PubChem CID135368085
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C18H22N6/c1-18(2,24(3)4)12-21-17-14-7-10-20-11-15(14)22-16(23-17)13-5-8-19-9-6-13/h5-11H,12H2,1-4H3,(H,21,22,23)
InChIKeyDKTKSNOAXMCFTA-UHFFFAOYSA-N
XLogP2.84
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine (CID 135368085) is 2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine is CN(C)C(C)(C)CNc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is DKTKSNOAXMCFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-18(2,24(3)4)12-21-17-14-7-10-20-11-15(14)22-16(23-17)13-5-8-19-9-6-13/h5-11H,12H2,1-4H3,(H,21,22,23).
What are the key properties of 2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 322.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 135368085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).