N-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine

C14H20N4O — CID 136561986

IUPACN-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine
SMILESCCOCC(Nc1nccc2ncncc12)C(C)C
InChIInChI=1S/C14H20N4O/c1-4-19-8-13(10(2)3)18-14-11-7-15-9-17-12(11)5-6-16-14/h5-7,9-10,13H,4,8H2,1-3H3,(H,16,18)
InChIKeySGCRTGSCYPVONM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.50
Rot. Bonds6

About N-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine

N-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine (PubChem CID 136561986) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine
PubChem CID136561986
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine
SMILESCCOCC(Nc1nccc2ncncc12)C(C)C
InChIInChI=1S/C14H20N4O/c1-4-19-8-13(10(2)3)18-14-11-7-15-9-17-12(11)5-6-16-14/h5-7,9-10,13H,4,8H2,1-3H3,(H,16,18)
InChIKeySGCRTGSCYPVONM-UHFFFAOYSA-N
XLogP2.50
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine (CID 136561986) is N-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine is CCOCC(Nc1nccc2ncncc12)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine?
The InChIKey is SGCRTGSCYPVONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-19-8-13(10(2)3)18-14-11-7-15-9-17-12(11)5-6-16-14/h5-7,9-10,13H,4,8H2,1-3H3,(H,16,18).
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine?
N-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine has a molecular weight of 260.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 136561986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).