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

C14H22N4O — CID 81222869

IUPAC4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCN1CCCC1CCOc1ncnc2c1CNCC2
InChIInChI=1S/C14H22N4O/c1-18-7-2-3-11(18)5-8-19-14-12-9-15-6-4-13(12)16-10-17-14/h10-11,15H,2-9H2,1H3
InChIKeyCTFNUIDDDPXPKH-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.99
Rot. Bonds4

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

4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 81222869) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID81222869
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCN1CCCC1CCOc1ncnc2c1CNCC2
InChIInChI=1S/C14H22N4O/c1-18-7-2-3-11(18)5-8-19-14-12-9-15-6-4-13(12)16-10-17-14/h10-11,15H,2-9H2,1H3
InChIKeyCTFNUIDDDPXPKH-UHFFFAOYSA-N
XLogP0.99
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222865
4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81223650
4-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propan-2-ylpyrimidine
CID 55231010
N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine
CID 80879280
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]quinazolin-6-amine
CID 64588529
4-(2,2,3,3,3-pentafluoropropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81223652
4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81223033
5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile
CID 61100632
4-(4-propoxyphenoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81228728
N-ethyl-5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
CID 80870503
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 154627855
3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine
CID 81035469

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 81222869) is 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CN1CCCC1CCOc1ncnc2c1CNCC2.
What is the InChIKey of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is CTFNUIDDDPXPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18-7-2-3-11(18)5-8-19-14-12-9-15-6-4-13(12)16-10-17-14/h10-11,15H,2-9H2,1H3.
What are the key properties of 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 262.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 81222869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).