7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride

C14H24ClN5O2S — CID 118741824

IUPAC7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCCS(=O)(=O)N1CCc2c(nc(C3CCCN3)nc2NC)C1.Cl
InChIInChI=1S/C14H23N5O2S.ClH/c1-3-22(20,21)19-8-6-10-12(9-19)17-14(18-13(10)15-2)11-5-4-7-16-11;/h11,16H,3-9H2,1-2H3,(H,15,17,18);1H
InChIKeyPXDBZVGMGAWIEP-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.07
Rot. Bonds4

About 7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride

7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride (PubChem CID 118741824) has the molecular formula C14H24ClN5O2S and a molecular weight of 361.90 g/mol. Its IUPAC name is 7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride
PubChem CID118741824
Molecular FormulaC14H24ClN5O2S
Molecular Weight361.90 g/mol
Exact Mass361.13
IUPAC Name7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCCS(=O)(=O)N1CCc2c(nc(C3CCCN3)nc2NC)C1.Cl
InChIInChI=1S/C14H23N5O2S.ClH/c1-3-22(20,21)19-8-6-10-12(9-19)17-14(18-13(10)15-2)11-5-4-7-16-11;/h11,16H,3-9H2,1-2H3,(H,15,17,18);1H
InChIKeyPXDBZVGMGAWIEP-UHFFFAOYSA-N
XLogP1.07
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride (CID 118741824) is 7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride is CCS(=O)(=O)N1CCc2c(nc(C3CCCN3)nc2NC)C1.Cl.
What is the InChIKey of 7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is PXDBZVGMGAWIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S.ClH/c1-3-22(20,21)19-8-6-10-12(9-19)17-14(18-13(10)15-2)11-5-4-7-16-11;/h11,16H,3-9H2,1-2H3,(H,15,17,18);1H.
What are the key properties of 7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride?
7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 118741824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).