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

C16H15N5O — CID 135368318

IUPACN-(3-methyloxetan-3-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(Nc2nc(-c3ccncc3)nc3cnccc23)COC1
InChIInChI=1S/C16H15N5O/c1-16(9-22-10-16)21-15-12-4-7-18-8-13(12)19-14(20-15)11-2-5-17-6-3-11/h2-8H,9-10H2,1H3,(H,19,20,21)
InChIKeyLCYSQYUKFGGZIW-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.29
Rot. Bonds3

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

N-(3-methyloxetan-3-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 135368318) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(3-methyloxetan-3-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methyloxetan-3-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID135368318
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-(3-methyloxetan-3-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(Nc2nc(-c3ccncc3)nc3cnccc23)COC1
InChIInChI=1S/C16H15N5O/c1-16(9-22-10-16)21-15-12-4-7-18-8-13(12)19-14(20-15)11-2-5-17-6-3-11/h2-8H,9-10H2,1H3,(H,19,20,21)
InChIKeyLCYSQYUKFGGZIW-UHFFFAOYSA-N
XLogP2.29
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxetan-3-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methyloxetan-3-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (CID 135368318) is N-(3-methyloxetan-3-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methyloxetan-3-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methyloxetan-3-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is CC1(Nc2nc(-c3ccncc3)nc3cnccc23)COC1.
What is the InChIKey of N-(3-methyloxetan-3-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is LCYSQYUKFGGZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-16(9-22-10-16)21-15-12-4-7-18-8-13(12)19-14(20-15)11-2-5-17-6-3-11/h2-8H,9-10H2,1H3,(H,19,20,21).
What are the key properties of N-(3-methyloxetan-3-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
N-(3-methyloxetan-3-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 293.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxetan-3-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135368318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).