N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine

C16H19N5O2S — CID 97463946

IUPACN-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine
SMILESO=S(=O)(C1CC1)N1CCc2c(CNc3ncccn3)cncc2C1
InChIInChI=1S/C16H19N5O2S/c22-24(23,14-2-3-14)21-7-4-15-12(8-17-9-13(15)11-21)10-20-16-18-5-1-6-19-16/h1,5-6,8-9,14H,2-4,7,10-11H2,(H,18,19,20)
InChIKeyWVNFWNCBAUBXEX-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.33
Rot. Bonds5

About N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine

N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine (PubChem CID 97463946) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine
PubChem CID97463946
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine
SMILESO=S(=O)(C1CC1)N1CCc2c(CNc3ncccn3)cncc2C1
InChIInChI=1S/C16H19N5O2S/c22-24(23,14-2-3-14)21-7-4-15-12(8-17-9-13(15)11-21)10-20-16-18-5-1-6-19-16/h1,5-6,8-9,14H,2-4,7,10-11H2,(H,18,19,20)
InChIKeyWVNFWNCBAUBXEX-UHFFFAOYSA-N
XLogP1.33
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine (CID 97463946) is N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine is O=S(=O)(C1CC1)N1CCc2c(CNc3ncccn3)cncc2C1.
What is the InChIKey of N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is WVNFWNCBAUBXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c22-24(23,14-2-3-14)21-7-4-15-12(8-17-9-13(15)11-21)10-20-16-18-5-1-6-19-16/h1,5-6,8-9,14H,2-4,7,10-11H2,(H,18,19,20).
What are the key properties of N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine?
N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 345.43 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 97463946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).