N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine

C17H17N5O — CID 112894330

IUPACN-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2nccc(N3CCc4ccccc4C3)n2)no1
InChIInChI=1S/C17H17N5O/c1-12-10-15(21-23-12)19-17-18-8-6-16(20-17)22-9-7-13-4-2-3-5-14(13)11-22/h2-6,8,10H,7,9,11H2,1H3,(H,18,19,20,21)
InChIKeyDYZUNWBUJHRJFX-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.08
Rot. Bonds3

About N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine

N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 112894330) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
PubChem CID112894330
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2nccc(N3CCc4ccccc4C3)n2)no1
InChIInChI=1S/C17H17N5O/c1-12-10-15(21-23-12)19-17-18-8-6-16(20-17)22-9-7-13-4-2-3-5-14(13)11-22/h2-6,8,10H,7,9,11H2,1H3,(H,18,19,20,21)
InChIKeyDYZUNWBUJHRJFX-UHFFFAOYSA-N
XLogP3.08
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine (CID 112894330) is N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine is Cc1cc(Nc2nccc(N3CCc4ccccc4C3)n2)no1.
What is the InChIKey of N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is DYZUNWBUJHRJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-10-15(21-23-12)19-17-18-8-6-16(20-17)22-9-7-13-4-2-3-5-14(13)11-22/h2-6,8,10H,7,9,11H2,1H3,(H,18,19,20,21).
What are the key properties of N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine?
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 307.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 112894330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).