4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C14H22N4O2 — CID 154718165

IUPAC4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1nc(OC[C@@H]2CCCN2C)nc2c1CCNC2
InChIInChI=1S/C14H22N4O2/c1-18-7-3-4-10(18)9-20-14-16-12-8-15-6-5-11(12)13(17-14)19-2/h10,15H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyKCVQZILXVPAAJM-JTQLQIEISA-N
MW278.36 g/mol
LogP0.60
Rot. Bonds4

About 4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 154718165) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID154718165
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1nc(OC[C@@H]2CCCN2C)nc2c1CCNC2
InChIInChI=1S/C14H22N4O2/c1-18-7-3-4-10(18)9-20-14-16-12-8-15-6-5-11(12)13(17-14)19-2/h10,15H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyKCVQZILXVPAAJM-JTQLQIEISA-N
XLogP0.60
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 154718165) is 4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is COc1nc(OC[C@@H]2CCCN2C)nc2c1CCNC2.
What is the InChIKey of 4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is KCVQZILXVPAAJM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N4O2/c1-18-7-3-4-10(18)9-20-14-16-12-8-15-6-5-11(12)13(17-14)19-2/h10,15H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 278.36 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 154718165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).