4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C12H18N4O — CID 115040229

IUPAC4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1nc(C2CCNC2)nc2c1CNCC2
InChIInChI=1S/C12H18N4O/c1-17-12-9-7-14-5-3-10(9)15-11(16-12)8-2-4-13-6-8/h8,13-14H,2-7H2,1H3
InChIKeyZBABYYYKIPDETG-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.21
Rot. Bonds2

About 4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 115040229) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID115040229
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1nc(C2CCNC2)nc2c1CNCC2
InChIInChI=1S/C12H18N4O/c1-17-12-9-7-14-5-3-10(9)15-11(16-12)8-2-4-13-6-8/h8,13-14H,2-7H2,1H3
InChIKeyZBABYYYKIPDETG-UHFFFAOYSA-N
XLogP0.21
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115040233
4-methoxy-2-piperidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 105493352
4-methoxy-2-pyrrolidin-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 105499490
4-methoxy-2-piperidin-3-yl-5,7-dihydrofuro[3,4-d]pyrimidine
CID 105496379
N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 105475959
4-methoxy-2-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115025312
N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101139
2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 105474414
4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739202
2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid
CID 83891041
methyl 2-cycloheptyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738187
2-cyclobutyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105473130

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 115040229) is 4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COc1nc(C2CCNC2)nc2c1CNCC2.
What is the InChIKey of 4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is ZBABYYYKIPDETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-17-12-9-7-14-5-3-10(9)15-11(16-12)8-2-4-13-6-8/h8,13-14H,2-7H2,1H3.
What are the key properties of 4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 234.30 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 115040229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).