N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C19H27N5O — CID 133462199

IUPACN-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCc3ccnc(OCCN(C)C)c3)n1)CCCC2
InChIInChI=1S/C19H27N5O/c1-14-22-17-7-5-4-6-16(17)19(23-14)21-13-15-8-9-20-18(12-15)25-11-10-24(2)3/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,22,23)
InChIKeyHESAHAPMBJORNU-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.61
Rot. Bonds7

About N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133462199) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133462199
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCc3ccnc(OCCN(C)C)c3)n1)CCCC2
InChIInChI=1S/C19H27N5O/c1-14-22-17-7-5-4-6-16(17)19(23-14)21-13-15-8-9-20-18(12-15)25-11-10-24(2)3/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,22,23)
InChIKeyHESAHAPMBJORNU-UHFFFAOYSA-N
XLogP2.61
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133462199) is N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nc2c(c(NCc3ccnc(OCCN(C)C)c3)n1)CCCC2.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is HESAHAPMBJORNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-22-17-7-5-4-6-16(17)19(23-14)21-13-15-8-9-20-18(12-15)25-11-10-24(2)3/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,22,23).
What are the key properties of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 341.46 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133462199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).