N-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

C17H19N5 — CID 135368317

IUPACN-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCCC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C17H19N5/c1-4-17(2,3)22-16-13-7-10-19-11-14(13)20-15(21-16)12-5-8-18-9-6-12/h5-11H,4H2,1-3H3,(H,20,21,22)
InChIKeyVCWNZJZLJJLTBZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.69
Rot. Bonds4

About N-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

N-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 135368317) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID135368317
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC NameN-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCCC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C17H19N5/c1-4-17(2,3)22-16-13-7-10-19-11-14(13)20-15(21-16)12-5-8-18-9-6-12/h5-11H,4H2,1-3H3,(H,20,21,22)
InChIKeyVCWNZJZLJJLTBZ-UHFFFAOYSA-N
XLogP3.69
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (CID 135368317) is N-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is CCC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is VCWNZJZLJJLTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-4-17(2,3)22-16-13-7-10-19-11-14(13)20-15(21-16)12-5-8-18-9-6-12/h5-11H,4H2,1-3H3,(H,20,21,22).
What are the key properties of N-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
N-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135368317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).