1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

C14H21N5O — CID 110082226

IUPAC1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCNc1nc(C2CCN(C(C)=O)C2)nc2c1CNCC2
InChIInChI=1S/C14H21N5O/c1-9(20)19-6-4-10(8-19)13-17-12-3-5-16-7-11(12)14(15-2)18-13/h10,16H,3-8H2,1-2H3,(H,15,17,18)
InChIKeyZYUHCVSELQNSIA-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.50
Rot. Bonds2

About 1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110082226) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID110082226
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCNc1nc(C2CCN(C(C)=O)C2)nc2c1CNCC2
InChIInChI=1S/C14H21N5O/c1-9(20)19-6-4-10(8-19)13-17-12-3-5-16-7-11(12)14(15-2)18-13/h10,16H,3-8H2,1-2H3,(H,15,17,18)
InChIKeyZYUHCVSELQNSIA-UHFFFAOYSA-N
XLogP0.50
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 110082226) is 1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is CNc1nc(C2CCN(C(C)=O)C2)nc2c1CNCC2.
What is the InChIKey of 1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is ZYUHCVSELQNSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9(20)19-6-4-10(8-19)13-17-12-3-5-16-7-11(12)14(15-2)18-13/h10,16H,3-8H2,1-2H3,(H,15,17,18).
What are the key properties of 1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 275.36 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110082226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).