N-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide

C19H26N6O — CID 23628222

IUPACN-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide
SMILESCCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)CCC2
InChIInChI=1S/C19H26N6O/c1-3-15-17(18(20)24-19(21)23-15)14-7-6-13-5-4-9-25(16(13)11-14)10-8-22-12(2)26/h6-7,11H,3-5,8-10H2,1-2H3,(H,22,26)(H4,20,21,23,24)
InChIKeyRJXJBPIINHJDPV-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.76
Rot. Bonds5

About N-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide

N-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide (PubChem CID 23628222) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide
PubChem CID23628222
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide
SMILESCCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)CCC2
InChIInChI=1S/C19H26N6O/c1-3-15-17(18(20)24-19(21)23-15)14-7-6-13-5-4-9-25(16(13)11-14)10-8-22-12(2)26/h6-7,11H,3-5,8-10H2,1-2H3,(H,22,26)(H4,20,21,23,24)
InChIKeyRJXJBPIINHJDPV-UHFFFAOYSA-N
XLogP1.76
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide (CID 23628222) is N-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide is CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)CCC2.
What is the InChIKey of N-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide?
The InChIKey is RJXJBPIINHJDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-3-15-17(18(20)24-19(21)23-15)14-7-6-13-5-4-9-25(16(13)11-14)10-8-22-12(2)26/h6-7,11H,3-5,8-10H2,1-2H3,(H,22,26)(H4,20,21,23,24).
What are the key properties of N-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide?
N-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide has a molecular weight of 354.46 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide is sourced from PubChem (CID 23628222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).