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

C18H21N5O — CID 135368054

IUPACN-(4-methoxy-2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCOCCC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C18H21N5O/c1-18(2,7-11-24-3)23-17-14-6-10-20-12-15(14)21-16(22-17)13-4-8-19-9-5-13/h4-6,8-10,12H,7,11H2,1-3H3,(H,21,22,23)
InChIKeyIKOCQBSJIXAKFW-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.31
Rot. Bonds6

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

N-(4-methoxy-2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 135368054) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(4-methoxy-2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxy-2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID135368054
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-(4-methoxy-2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCOCCC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C18H21N5O/c1-18(2,7-11-24-3)23-17-14-6-10-20-12-15(14)21-16(22-17)13-4-8-19-9-5-13/h4-6,8-10,12H,7,11H2,1-3H3,(H,21,22,23)
InChIKeyIKOCQBSJIXAKFW-UHFFFAOYSA-N
XLogP3.31
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxy-2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (CID 135368054) is N-(4-methoxy-2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxy-2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxy-2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is COCCC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of N-(4-methoxy-2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is IKOCQBSJIXAKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-18(2,7-11-24-3)23-17-14-6-10-20-12-15(14)21-16(22-17)13-4-8-19-9-5-13/h4-6,8-10,12H,7,11H2,1-3H3,(H,21,22,23).
What are the key properties of N-(4-methoxy-2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
N-(4-methoxy-2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylbutan-2-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135368054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).