8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine

C20H24N10O2 — CID 73386989

IUPAC8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1nc(-c2nnnn2C)ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1
InChIInChI=1S/C20H24N10O2/c1-20(2,32-5)11-23-16-15-12(8-9-21-16)10-22-19(26-15)25-14-7-6-13(24-18(14)31-4)17-27-28-29-30(17)3/h6-10H,11H2,1-5H3,(H,21,23)(H,22,25,26)
InChIKeyMJSREVGITAJCEL-UHFFFAOYSA-N
MW436.48 g/mol
LogP2.20
Rot. Bonds8

About 8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine

8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 73386989) has the molecular formula C20H24N10O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID73386989
Molecular FormulaC20H24N10O2
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC Name8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1nc(-c2nnnn2C)ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1
InChIInChI=1S/C20H24N10O2/c1-20(2,32-5)11-23-16-15-12(8-9-21-16)10-22-19(26-15)25-14-7-6-13(24-18(14)31-4)17-27-28-29-30(17)3/h6-10H,11H2,1-5H3,(H,21,23)(H,22,25,26)
InChIKeyMJSREVGITAJCEL-UHFFFAOYSA-N
XLogP2.20
TPSA137.68 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.48
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine (CID 73386989) is 8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine is COc1nc(-c2nnnn2C)ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1.
What is the InChIKey of 8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is MJSREVGITAJCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N10O2/c1-20(2,32-5)11-23-16-15-12(8-9-21-16)10-22-19(26-15)25-14-7-6-13(24-18(14)31-4)17-27-28-29-30(17)3/h6-10H,11H2,1-5H3,(H,21,23)(H,22,25,26).
What are the key properties of 8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 436.48 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-methoxy-2-methylpropyl)-2-N-[2-methoxy-6-(1-methyltetrazol-5-yl)-3-pyridinyl]pyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 73386989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).