1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine

C15H24N4O2 — CID 164799166

IUPAC1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine
SMILESCOc1nc(OCC2(CN(C)C)CC2)nc2c1CCNC2
InChIInChI=1S/C15H24N4O2/c1-19(2)9-15(5-6-15)10-21-14-17-12-8-16-7-4-11(12)13(18-14)20-3/h16H,4-10H2,1-3H3
InChIKeyJWKYZTWTFXPREZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.85
Rot. Bonds6

About 1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine

1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine (PubChem CID 164799166) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine
PubChem CID164799166
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine
SMILESCOc1nc(OCC2(CN(C)C)CC2)nc2c1CCNC2
InChIInChI=1S/C15H24N4O2/c1-19(2)9-15(5-6-15)10-21-14-17-12-8-16-7-4-11(12)13(18-14)20-3/h16H,4-10H2,1-3H3
InChIKeyJWKYZTWTFXPREZ-UHFFFAOYSA-N
XLogP0.85
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine (CID 164799166) is 1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine is COc1nc(OCC2(CN(C)C)CC2)nc2c1CCNC2.
What is the InChIKey of 1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine?
The InChIKey is JWKYZTWTFXPREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-19(2)9-15(5-6-15)10-21-14-17-12-8-16-7-4-11(12)13(18-14)20-3/h16H,4-10H2,1-3H3.
What are the key properties of 1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine?
1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine has a molecular weight of 292.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)oxymethyl]cyclopropyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 164799166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).