5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine

C14H19N5O2 — CID 170726752

IUPAC5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCOc1nc(C)cc2nc(N)nc(NCC3CCCO3)c12
InChIInChI=1S/C14H19N5O2/c1-8-6-10-11(13(17-8)20-2)12(19-14(15)18-10)16-7-9-4-3-5-21-9/h6,9H,3-5,7H2,1-2H3,(H3,15,16,18,19)
InChIKeyAPLBKEWTSQGMOL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.51
Rot. Bonds4

About 5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine

5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 170726752) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID170726752
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCOc1nc(C)cc2nc(N)nc(NCC3CCCO3)c12
InChIInChI=1S/C14H19N5O2/c1-8-6-10-11(13(17-8)20-2)12(19-14(15)18-10)16-7-9-4-3-5-21-9/h6,9H,3-5,7H2,1-2H3,(H3,15,16,18,19)
InChIKeyAPLBKEWTSQGMOL-UHFFFAOYSA-N
XLogP1.51
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine (CID 170726752) is 5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine is COc1nc(C)cc2nc(N)nc(NCC3CCCO3)c12.
What is the InChIKey of 5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is APLBKEWTSQGMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-8-6-10-11(13(17-8)20-2)12(19-14(15)18-10)16-7-9-4-3-5-21-9/h6,9H,3-5,7H2,1-2H3,(H3,15,16,18,19).
What are the key properties of 5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine?
5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 289.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-4-N-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 170726752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).