[2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C17H24F3N5O — CID 56911655

IUPAC[2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(CC(C)C(F)(F)F)CC2
InChIInChI=1S/C17H24F3N5O/c1-11(17(18,19)20)9-24-8-5-13-12(10-24)14(23-16(21-2)22-13)15(26)25-6-3-4-7-25/h11H,3-10H2,1-2H3,(H,21,22,23)
InChIKeyNZPLHIPPZXPCHC-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.31
Rot. Bonds4

About [2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56911655) has the molecular formula C17H24F3N5O and a molecular weight of 371.41 g/mol. Its IUPAC name is [2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID56911655
Molecular FormulaC17H24F3N5O
Molecular Weight371.41 g/mol
Exact Mass371.19
IUPAC Name[2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(CC(C)C(F)(F)F)CC2
InChIInChI=1S/C17H24F3N5O/c1-11(17(18,19)20)9-24-8-5-13-12(10-24)14(23-16(21-2)22-13)15(26)25-6-3-4-7-25/h11H,3-10H2,1-2H3,(H,21,22,23)
InChIKeyNZPLHIPPZXPCHC-UHFFFAOYSA-N
XLogP2.31
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 56911655) is [2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(CC(C)C(F)(F)F)CC2.
What is the InChIKey of [2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NZPLHIPPZXPCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N5O/c1-11(17(18,19)20)9-24-8-5-13-12(10-24)14(23-16(21-2)22-13)15(26)25-6-3-4-7-25/h11H,3-10H2,1-2H3,(H,21,22,23).
What are the key properties of [2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 371.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-6-(3,3,3-trifluoro-2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56911655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).